data_2n4e_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 2n4e _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.237 0.444 0 N-CA-C 108.853 -0.795 . . . . 71.03 108.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -102.33 103.93 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.076 0.951 . . . . 74.44 108.854 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.44 HE21 ' NE2' ' A' ' 15' ' ' GLN . 53.6 tt0 -89.46 106.04 18.19 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.49 0.716 . . . . 73.01 109.603 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.8 t -92.69 122.28 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.36 1.064 . . . . 74.01 108.46 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.44 ' NE2' HE21 ' A' ' 13' ' ' GLN . 93.1 mt-30 -128.04 122.09 31.32 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.321 0.649 . . . . 65.33 110.092 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 26.8 t-20 -114.25 129.35 56.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.629 0.772 . . . . 73.44 109.254 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -121.6 126.92 50.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.457 -1.312 . . . . 52.43 107.457 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 123.226 0.61 . . . . 74.34 111.095 -168.669 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.659 ' HH ' ' HB3' ' A' ' 47' ' ' TYR . 1.4 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.433 0.635 . . . . 72.42 111.555 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.8 m -121.75 119.26 31.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.006 0.922 . . . . 73.44 109.64 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -138.3 125.88 22.1 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.907 0.883 . . . . 74.54 109.663 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -107.82 111.3 23.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.566 0.746 . . . . 74.42 109.518 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -116.13 129.67 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.733 0.813 . . . . 71.15 110.669 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 t -88.84 -7.37 56.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.017 0.527 . . . . 72.21 110.548 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 35' ' ' SER . 30.7 m -140.81 137.56 33.41 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.321 0.648 . . . . 75.53 109.723 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.16 -16.02 63.03 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.054 0.761 . . . . 73.1 113.054 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.457 ' H ' HG22 ' A' ' 33' ' ' THR . 24.3 m -58.25 -41.57 84.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 122.891 0.476 . . . . 74.31 110.464 172.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -75.74 -34.95 60.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.064 0.946 . . . . 73.34 111.129 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.77 -35.01 42.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.382 1.073 . . . . 71.41 112.068 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.01 -47.02 81.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.4 0.68 . . . . 71.44 111.294 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -33.57 75.0 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.887 -0.597 . . . . 75.05 111.502 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.66 -55.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 123.778 0.674 . . . . 75.31 109.64 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -70.39 -27.72 64.53 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.99 0.806 . . . . 75.15 112.737 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.48 -54.8 41.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.641 0.376 . . . . 75.32 110.459 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.58 -35.77 60.52 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.482 0.488 . . . . 64.1 110.999 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.42 ' HG ' HD12 ' A' ' 48' ' ' ILE . 30.0 tp -64.27 -49.25 72.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.653 0.781 . . . . 71.31 110.496 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.1 ttpt -52.37 -47.33 66.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.618 1.167 . . . . 75.42 111.779 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.32 -43.21 74.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.291 -1.322 . . . . 63.33 111.065 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.659 ' HB3' ' HH ' ' A' ' 27' ' ' TYR . 14.6 m-30 -72.51 -49.8 30.33 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 123.558 0.743 . . . . 71.21 110.935 -177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.435 HG22 ' HG ' ' A' ' 56' ' ' SER . 87.4 mt -53.2 -32.27 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.169 0.987 . . . . 74.24 111.53 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB2' HD21 ' A' ' 82' ' ' LEU . 84.1 tttt -60.81 -41.88 96.55 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.477 -0.783 . . . . 75.11 111.807 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 N--CA 1.481 1.095 0 C-N-CA 123.026 0.531 . . . . 72.33 111.494 177.64 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.512 0.672 . . . . 74.23 112.713 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.435 ' HG ' HG22 ' A' ' 48' ' ' ILE . 54.0 m -137.87 154.31 49.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.001 1.32 . . . . 75.31 108.513 168.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -93.67 150.06 20.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.564 0.746 . . . . 75.41 110.276 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.1 m -139.69 147.26 40.7 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.007 -1.109 . . . . 74.44 108.007 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -145.0 123.52 12.42 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.152 -1.055 . . . . 74.54 108.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.516 HG23 ' CD2' ' A' ' 71' ' ' PHE . 33.7 mt -115.01 133.0 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.606 1.162 . . . . 75.5 109.387 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.6 m -72.58 104.06 3.75 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.51 0.506 . . . . 65.35 110.443 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.4 130.44 42.19 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.356 -0.979 . . . . 74.5 108.356 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -83.12 -25.27 32.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.163 0.506 . . . . 75.44 110.179 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 p -133.38 151.12 51.81 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 124.041 0.937 . . . . 72.14 108.625 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -67.41 -18.24 65.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.075 0.55 . . . . 72.11 111.332 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.68 -39.15 93.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.757 0.823 . . . . 73.4 109.93 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 48.3 mt-10 -72.25 -39.63 68.29 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.259 -0.882 . . . . 75.44 110.367 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -54.26 -34.3 60.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.302 0.641 . . . . 72.23 111.653 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.95 -48.31 71.76 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.751 0.82 . . . . 74.44 112.29 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.495 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 22.0 pttp -77.69 -30.16 51.75 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.261 -0.4 . . . . 73.31 111.66 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.516 ' CD2' HG23 ' A' ' 60' ' ' ILE . 24.6 m-85 -72.51 -30.66 64.69 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.935 0.334 . . . . 74.25 110.142 171.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HB3' HG21 ' A' ' 96' ' ' VAL . . . -64.48 -43.28 94.67 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 109.857 -0.423 . . . . 72.44 109.857 171.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.28 70.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 73.4 111.282 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.78 -48.04 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 124.173 0.989 . . . . 73.43 111.074 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.06 -41.71 77.23 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.214 0.606 . . . . 74.32 111.535 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.646 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.7 mp -57.7 -43.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.802 0.841 . . . . 73.3 109.225 173.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.9 -45.47 92.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.874 0.734 . . . . 64.5 111.123 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 41' ' ' LEU . 8.6 t -60.5 -51.13 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.787 1.235 . . . . 65.43 111.583 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.01 -20.57 60.98 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.234 -0.439 . . . . 71.24 111.469 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.52 63.08 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.131 0.573 . . . . 64.12 111.085 176.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.89 -29.15 61.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.591 0.757 . . . . 71.02 110.237 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 49' ' ' LYS . 81.5 mt -78.53 -27.06 45.91 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.994 -0.548 . . . . 75.4 111.82 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.272 0 C-N-CA 121.357 -0.449 . . . . 73.33 112.832 178.826 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.646 ' HB ' HG13 ' A' ' 76' ' ' ILE . 49.0 mm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.155 -0.683 . . . . 72.43 109.155 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -86.37 125.32 33.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.618 0.767 . . . . 73.44 109.341 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 76' ' ' ILE . 3.4 p -135.4 144.05 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.382 1.073 . . . . 72.51 109.859 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 t -135.78 121.06 19.08 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.346 0.659 . . . . 64.54 109.336 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -89.26 101.32 13.98 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.578 -0.737 . . . . 71.31 109.946 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.25 -63.76 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.607 -0.886 . . . . 74.32 108.607 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.34 -56.89 0.57 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 110.768 -0.933 . . . . 72.15 110.768 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -72.73 -26.1 61.45 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.194 0.597 . . . . 73.53 109.964 170.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 p -139.41 151.65 46.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.953 0.901 . . . . 73.34 110.939 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 72' ' ' ALA . 3.6 p -117.34 109.65 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.398 -0.964 . . . . 74.13 108.398 165.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.1 m -96.45 114.36 26.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.317 0.647 . . . . 74.12 109.74 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.04 127.67 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.388 1.075 . . . . 71.4 109.547 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 107.85 -1.167 . . . . 74.23 107.85 173.28 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.24 0.592 0 CA-C-O 120.98 0.419 . . . . 73.13 111.364 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.456 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 71.0 mt -74.3 101.99 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.89 -1.152 . . . . 64.35 107.89 171.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -86.47 110.15 19.55 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.54 -0.754 . . . . 73.41 109.007 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -94.17 109.36 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 124.389 1.076 . . . . 63.31 108.337 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 58' ' ' THR . 34.8 tt0 -119.53 104.22 10.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.182 0.593 . . . . 74.31 109.62 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 27' ' ' TYR . 11.4 m120 -107.41 113.39 26.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.23 1.012 . . . . 70.04 108.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -115.69 124.84 51.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.631 0.773 . . . . 74.44 110.778 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 107.614 -1.254 . . . . 65.33 107.614 173.47 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.457 ' HB2' ' HB2' ' A' ' 16' ' ' ASN . 91.2 m-85 . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.198 0.073 . . . . 73.33 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -138.38 127.05 23.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.377 -0.601 . . . . 72.44 109.377 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -134.5 155.43 50.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.929 0.891 . . . . 74.52 109.425 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m -129.17 105.97 8.52 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.823 -0.806 . . . . 72.31 108.823 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.9 m -117.57 135.51 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.853 0.861 . . . . 74.42 108.754 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -83.76 -25.23 30.67 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 122.069 -0.394 . . . . 75.45 110.163 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 35' ' ' SER . 14.4 m -118.06 147.42 43.27 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.531 0.732 . . . . 73.44 110.674 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.63 -31.97 73.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.282 1.033 . . . . 74.54 110.942 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.473 ' H ' HG22 ' A' ' 33' ' ' THR . 35.3 m -55.4 -45.87 76.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.639 1.176 . . . . 71.52 112.136 177.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.46 -43.86 96.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.976 0.911 . . . . 71.31 110.303 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.11 -35.42 80.69 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.112 -0.949 . . . . 70.32 112.18 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -62.6 -27.36 69.14 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.664 0.386 . . . . 74.25 111.369 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -54.16 7.06 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.22 -0.659 . . . . 74.32 109.22 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.63 -59.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.173 0 C-N-CA 124.541 1.136 . . . . 72.12 111.907 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.45 -35.46 80.99 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.386 0.884 . . . . 73.44 113.386 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -72.53 -35.11 68.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.165 0.186 . . . . 75.22 110.879 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.74 -31.19 26.13 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.294 -0.261 . . . . 75.32 110.294 175.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 47' ' ' TYR . 40.0 tp -66.97 -27.63 67.61 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.569 1.148 . . . . 72.34 110.888 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.52 ' HB2' HG13 ' A' ' 78' ' ' VAL . 32.4 ttpt -46.48 -46.6 19.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.211 1.405 . . . . 75.14 111.121 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -76.33 -31.54 58.2 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.735 -1.12 . . . . 70.53 111.445 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.413 ' HB2' HD13 ' A' ' 44' ' ' LEU . 15.7 m-85 -65.85 -42.74 90.08 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.359 0.663 . . . . 65.13 111.261 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.5 -33.14 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.839 0.856 . . . . 71.12 109.733 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -67.76 -34.44 76.81 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.775 0.83 . . . . 73.21 110.695 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm . . . . . 0 N--CA 1.473 0.691 0 CA-C-N 115.191 -0.913 . . . . 74.05 110.359 179.506 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.495 HH12 ' HB2' ' A' ' 57' ' ' ARG . 1.9 tmm_? . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 107.541 -1.281 . . . . 71.51 107.541 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -140.77 131.72 26.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.617 0.767 . . . . 64.22 111.236 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' HB2' HH12 ' A' ' 55' ' ' ARG . 70.3 ttp85 -113.98 151.13 32.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.555 1.142 . . . . 75.24 109.587 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 18.5 m -140.79 109.2 5.86 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.871 0.468 . . . . 74.43 110.625 171.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 m -97.92 121.2 39.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.428 0.691 . . . . 74.54 109.228 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.495 HG22 ' CD2' ' A' ' 71' ' ' PHE . 53.8 mt -122.99 128.42 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.902 0.881 . . . . 60.23 110.168 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.456 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 27.7 m -69.62 122.89 20.0 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.314 0.384 . . . . 72.14 110.591 175.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.54 138.61 52.41 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.177 0.991 . . . . 72.22 108.35 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 -24.81 22.09 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.852 -0.425 . . . . 75.0 109.852 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.0 p -135.17 162.73 31.69 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.411 1.084 . . . . 75.13 110.002 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -72.19 -27.29 62.47 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.502 0.556 . . . . 64.43 112.502 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -67.05 -29.52 69.34 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.687 0.221 . . . . 75.13 110.677 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 65.7 mt-10 -73.47 -48.24 35.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.601 -0.518 . . . . 72.35 109.601 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.73 62.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.2 0.6 . . . . 73.42 112.23 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.25 -27.29 47.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.88 0.472 . . . . 74.11 111.709 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -77.06 -42.54 37.96 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 119.117 -0.468 . . . . 73.2 110.287 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.495 ' CD2' HG22 ' A' ' 60' ' ' ILE . 37.2 m-85 -66.16 -29.6 69.92 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.89 0.476 . . . . 75.13 110.229 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.85 -55.39 35.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.691 0.62 . . . . 71.35 109.764 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.96 77.62 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 124.102 0.876 . . . . 61.41 111.534 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 78' ' ' VAL . 95.3 mt -61.08 -51.78 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 124.045 0.938 . . . . 74.14 110.244 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' A' ' 98' ' ' VAL . 82.9 mt -63.31 -36.33 83.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.256 1.023 . . . . 73.11 113.011 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -44.02 92.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 109.034 -0.728 . . . . 74.14 109.034 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -69.2 -39.46 78.62 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.69 0.796 . . . . 72.43 111.868 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 45' ' ' LYS . 69.2 t -60.73 -50.55 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.776 0.83 . . . . 75.04 110.499 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -85.52 -16.55 39.12 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.523 -0.762 . . . . 70.52 112.572 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.46 85.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.494 0.317 . . . . 74.24 110.451 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.67 -21.2 65.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.989 -0.55 . . . . 74.4 111.258 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.36 -27.25 27.83 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.208 0.603 . . . . 70.5 110.311 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.03 0 CA-C-O 119.83 -0.428 . . . . 62.42 112.376 177.072 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.225 -0.657 . . . . 74.41 109.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.47 150.09 23.31 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.088 0.955 . . . . 74.32 109.745 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.56 146.21 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.475 0.71 . . . . 74.44 110.224 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 m -142.89 108.01 4.96 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.929 0.891 . . . . 75.24 108.971 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -88.52 100.13 12.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 108.231 -1.026 . . . . 74.02 108.231 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -138.74 128.89 25.51 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.258 1.023 . . . . 73.51 110.049 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 37.94 95.74 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 123.919 0.762 . . . . 74.42 113.322 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 60.3 19.54 9.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.788 1.235 . . . . 73.54 111.727 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 m -119.56 129.89 54.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.941 0.896 . . . . 74.25 109.028 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 71' ' ' PHE . 2.6 p -92.25 108.37 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 121.666 0.746 . . . . 75.12 109.469 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.8 m -102.41 100.45 10.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 74.21 108.86 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.438 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.8 t -93.45 125.01 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.756 0.822 . . . . 74.22 109.071 176.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 123.4 0.68 . . . . 72.25 109.631 -176.783 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.042 0.448 . . . . 74.13 111.076 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.518 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 18.2 mt -72.16 104.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 114.65 -1.159 . . . . 74.24 110.612 -170.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -87.24 116.28 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.948 -0.76 . . . . 74.52 108.948 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -107.79 121.96 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 75.42 108.275 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.401 ' HG2' HG22 ' A' ' 28' ' ' THR . 42.3 mt-30 -131.39 115.49 16.3 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.433 -0.58 . . . . 73.43 109.433 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 24.5 t-20 -104.51 112.13 25.07 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.775 -0.824 . . . . 75.12 108.775 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -118.14 110.69 17.9 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.878 -1.527 . . . . 72.43 106.878 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.604 HD22 HG12 ' A' ' 48' ' ' ILE . 79.2 m-20 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.198 -0.667 . . . . 73.5 109.198 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 39.0 m-85 . . . . . 0 CA--C 1.553 1.066 0 CA-C-O 121.275 0.559 . . . . 65.05 111.63 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 HG22 ' HG2' ' A' ' 15' ' ' GLN . 89.3 m -107.31 124.78 50.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.023 0.929 . . . . 70.11 109.474 176.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -139.87 147.36 40.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.656 1.182 . . . . 75.51 108.274 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -128.37 108.12 10.31 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.586 0.63 . . . . 74.34 110.117 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 37' ' ' LEU . 24.9 m -113.24 148.03 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.225 1.01 . . . . 75.01 109.393 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -89.44 -22.76 22.35 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 118.014 0.37 . . . . 73.3 110.675 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.405 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 4.4 m -119.62 150.19 40.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.189 0.596 . . . . 73.1 110.982 -174.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 1.3 mp0 -71.01 -32.58 69.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.989 1.316 . . . . 74.51 111.082 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.1 t -57.43 -44.97 85.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.082 0.953 . . . . 71.45 110.833 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 38.6 mt-10 -65.82 -35.38 80.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.056 0.942 . . . . 72.25 110.838 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.9 tt -68.29 -28.75 67.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.195 -0.911 . . . . 74.12 111.797 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.82 -28.73 69.76 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.982 0.513 . . . . 71.33 110.744 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -36.42 56.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.798 0.839 . . . . 74.02 110.134 174.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -58.82 -47.65 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.728 0.811 . . . . 73.31 110.537 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD12 HD23 ' A' ' 44' ' ' LEU . 4.2 mm? -73.51 -26.52 60.92 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.386 0.674 . . . . 73.13 112.012 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.89 -48.15 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.254 0.622 . . . . 74.33 110.183 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -33.22 59.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.155 0.582 . . . . 75.3 110.925 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 41' ' ' LEU . 38.2 tp -64.25 -35.36 80.58 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.891 0.877 . . . . 72.04 110.995 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.6 -40.91 63.18 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.621 1.169 . . . . 70.23 111.39 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.56 -47.8 58.49 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.151 -0.931 . . . . 71.44 110.637 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.73 -30.84 70.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.704 0.802 . . . . 75.12 112.621 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.604 HG12 HD22 ' A' ' 18' ' ' ASN . 78.4 mt -81.89 -51.09 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.321 0.648 . . . . 75.42 110.346 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.4 tttt -66.17 -46.37 77.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.368 0.667 . . . . 71.24 112.402 -172.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt . . . . . 0 N--CA 1.474 0.755 0 C-N-CA 124.479 1.112 . . . . 70.33 111.253 -175.443 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.028 -0.36 . . . . 74.44 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 114.12 26.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.019 0.928 . . . . 73.12 109.241 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 97' ' ' THR . 36.5 ttt180 -104.51 112.28 25.28 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.263 -0.643 . . . . 72.52 109.263 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 m -113.54 118.78 35.39 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.766 -0.828 . . . . 74.1 108.766 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.7 t -103.68 118.88 37.74 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.593 -1.262 . . . . 74.32 107.593 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.08 126.48 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.204 1.002 . . . . 74.13 109.708 -171.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.518 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 87.8 m -60.0 114.57 2.9 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.363 0.602 . . . . 73.21 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.94 108.78 17.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.013 1.325 . . . . 75.31 108.54 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -32.71 71.7 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.437 0.695 . . . . 74.51 110.762 -176.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.0 p -139.39 175.37 9.62 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.109 1.364 . . . . 75.13 108.4 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -75.46 -17.29 60.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 110.066 -0.346 . . . . 72.15 110.066 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -71.04 -34.31 71.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.564 0.746 . . . . 63.34 109.495 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mm-40 -67.63 -50.77 56.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 108.871 -0.789 . . . . 74.32 108.871 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.61 44.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.076 0.951 . . . . 73.54 112.471 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.89 -53.48 55.14 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.049 1.34 . . . . 73.21 111.303 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.481 ' HE3' ' HG2' ' A' ' 34' ' ' GLU . 61.8 pttt -73.02 -36.73 67.03 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 119.267 -0.397 . . . . 74.15 111.228 -173.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 74' ' ' ILE . 99.2 m-85 -71.14 -20.85 62.26 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.867 0.303 . . . . 74.33 111.349 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.53 76.54 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 109.148 -0.686 . . . . 72.32 109.148 170.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.46 70.66 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 118.146 0.43 . . . . 73.25 111.877 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 71' ' ' PHE . 97.8 mt -70.23 -41.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.497 1.119 . . . . 74.54 110.876 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.43 HD12 ' HB ' ' A' ' 98' ' ' VAL . 21.4 mt -79.02 -46.58 17.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.567 0.747 . . . . 74.12 112.144 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.517 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -52.81 -34.67 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.561 1.145 . . . . 74.2 110.4 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -35.36 76.91 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.933 0.893 . . . . 75.21 111.23 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG21 HD13 ' A' ' 41' ' ' LEU . 63.8 t -84.2 -43.15 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.037 0.935 . . . . 75.34 110.654 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -72.86 -21.92 60.86 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.124 0.569 . . . . 73.32 112.09 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.54 60.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.338 0.655 . . . . 74.41 111.119 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -82.02 -50.66 8.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.997 -0.547 . . . . 75.24 110.788 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 49' ' ' LYS . 30.3 mt -84.8 -28.23 26.29 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.031 -0.532 . . . . 74.54 111.686 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.698 0 CA-C-N 115.858 -0.61 . . . . 74.45 112.267 -176.87 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.517 HG13 HG13 ' A' ' 76' ' ' ILE . 49.9 mm . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.83 -0.433 . . . . 74.21 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -116.35 107.91 15.41 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.213 -1.032 . . . . 73.22 108.213 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 98' ' ' VAL . 7.3 p -109.99 135.81 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.371 0.668 . . . . 71.43 110.238 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -146.25 136.93 24.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.991 1.317 . . . . 70.22 108.874 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -101.29 119.98 39.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.751 -0.833 . . . . 74.3 108.751 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -73.97 -30.54 62.57 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.273 0.629 . . . . 70.12 110.201 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.08 -87.06 0.2 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.56 -1.016 . . . . 73.1 110.56 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.11 11.14 12.45 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.599 0.76 . . . . 73.55 111.258 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.8 m -145.54 150.89 37.24 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.694 1.197 . . . . 70.33 108.62 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.83 117.21 52.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.281 0.632 . . . . 65.21 110.276 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 57' ' ' ARG . 18.5 m -90.48 116.81 28.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.656 0.782 . . . . 51.43 109.395 170.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 89' ' ' VAL . 40.1 t -113.93 145.52 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 107.286 -1.376 . . . . 74.24 107.286 166.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.21 1.004 . . . . 65.02 110.102 -175.556 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' THR . 4.5 p30 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 121.489 0.661 . . . . 71.15 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.43 106.69 19.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 107.575 -1.268 . . . . 74.33 107.575 170.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.15 104.54 11.7 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.423 -0.584 . . . . 74.22 109.423 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 28' ' ' THR . 48.4 t -93.82 124.84 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.898 0.879 . . . . 75.13 108.715 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -133.62 151.38 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.436 0.694 . . . . 73.5 110.138 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -129.06 126.21 38.94 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.97 -1.122 . . . . 71.44 107.97 163.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -102.53 111.13 23.3 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.548 -1.279 . . . . 75.24 107.548 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 p30 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.351 0.596 . . . . 74.25 110.067 -176.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 113.203 0.816 . . . . 71.41 113.203 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 62.3 m -92.26 118.0 30.45 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.439 0.695 . . . . 63.45 109.483 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.9 123.17 39.84 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.524 -0.917 . . . . 74.3 108.524 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -97.19 104.11 16.1 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.539 -1.282 . . . . 75.22 107.539 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.46 123.87 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 109.11 -0.7 . . . . 75.13 109.11 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 12.7 t -86.55 -26.99 24.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 122.003 -0.436 . . . . 63.23 110.333 -173.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.45 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.8 m -106.52 143.62 34.38 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.229 0.612 . . . . 74.4 109.777 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.51 -30.44 70.12 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.303 0.641 . . . . 73.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.6 m -56.28 -38.64 71.47 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.039 0.935 . . . . 75.13 111.457 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 39.3 mt-10 -66.64 -42.77 86.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 115.441 -0.799 . . . . 72.21 110.308 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 HD13 HD12 ' A' ' 60' ' ' ILE . 9.2 tt -62.22 -30.29 70.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.138 -0.937 . . . . 75.11 111.394 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.58 -35.51 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.81 0.444 . . . . 73.12 111.664 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -33.91 26.97 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 118.919 -0.562 . . . . 74.32 111.689 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -63.8 -26.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.184 0.447 . . . . 64.2 110.562 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.508 HD11 HD22 ' A' ' 75' ' ' LEU . 3.6 mm? -70.45 -38.92 74.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.868 0.467 . . . . 70.51 111.865 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.452 0.701 . . . . 72.42 110.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.1 -46.7 61.26 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.53 -0.759 . . . . 73.13 110.884 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' HG ' HG13 ' A' ' 48' ' ' ILE . 28.9 tp -71.04 -22.0 62.19 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.57 0.748 . . . . 75.11 111.133 -174.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -50.01 -44.74 51.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.367 1.067 . . . . 74.3 111.298 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.87 -53.65 55.45 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.857 -1.065 . . . . 61.23 111.034 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.61 -43.11 90.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.854 0.862 . . . . 71.03 111.921 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 HG13 ' HG ' ' A' ' 44' ' ' LEU . 63.0 mt -60.76 -43.96 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.197 0.999 . . . . 74.15 109.826 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.21 -33.94 74.1 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.223 0.609 . . . . 75.12 110.897 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 124.194 0.998 . . . . 75.51 112.0 -173.114 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 110.043 -0.355 . . . . 71.34 110.043 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 p -140.55 117.52 11.13 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.005 0.922 . . . . 72.25 109.278 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -112.16 113.67 26.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.705 0.802 . . . . 73.23 109.564 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.2 m -97.84 119.69 36.9 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.699 0.4 . . . . 72.22 110.574 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -113.96 120.41 40.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.041 0.936 . . . . 74.44 109.642 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 HD12 HD13 ' A' ' 37' ' ' LEU . 48.9 mt -111.43 127.02 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.214 1.006 . . . . 73.14 108.45 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.3 m -61.59 103.2 0.3 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.262 0.554 . . . . 74.03 111.116 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 96' ' ' VAL . . . -90.2 131.58 35.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.894 0.878 . . . . 73.5 109.693 176.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -88.25 -68.53 0.76 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.152 0.581 . . . . 75.04 109.657 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.6 p -96.07 177.12 5.84 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 124.12 0.968 . . . . 74.22 110.269 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.8 -29.4 69.88 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.912 -0.403 . . . . 74.41 109.912 171.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.07 -29.86 70.28 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 123.606 0.762 . . . . 74.11 110.955 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 17.3 mm-40 -72.39 -47.42 49.48 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.426 -0.583 . . . . 74.5 109.426 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . . . -59.13 -34.65 72.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.159 0.983 . . . . 75.01 112.801 -175.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.43 -37.99 20.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.637 0.375 . . . . 73.32 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 60.5 pttt -81.8 -40.32 22.73 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 119.034 -0.507 . . . . 74.53 110.858 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.41 ' HB2' HG12 ' A' ' 96' ' ' VAL . 88.9 m-85 -71.91 -23.26 61.45 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 118.119 0.418 . . . . 73.44 110.687 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.9 53.16 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.875 -0.787 . . . . 72.22 108.875 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' O ' ' HD2' ' A' ' 77' ' ' LYS . . . -55.44 -46.2 76.76 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.998 0.812 . . . . 73.24 111.367 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 71' ' ' PHE . 96.6 mt -55.6 -36.02 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.489 1.116 . . . . 74.53 111.171 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.598 HD23 ' HH ' ' A' ' 79' ' ' TYR . 87.7 mt -77.87 -46.64 20.82 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.018 0.527 . . . . 73.51 111.432 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.8 mp -59.16 -41.19 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.271 0.628 . . . . 64.51 111.293 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' ' 73' ' ' ALA . 1.2 mpmm? -55.53 -38.07 68.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.045 0.938 . . . . 74.42 111.363 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG23 HD13 ' A' ' 41' ' ' LEU . 90.0 t -79.85 -38.77 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.92 0.888 . . . . 71.11 111.283 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.598 ' HH ' HD23 ' A' ' 75' ' ' LEU . 9.1 m-30 -79.63 -21.51 44.8 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.891 0.476 . . . . 73.51 111.999 -172.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.19 62.62 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.803 0.335 . . . . 71.14 110.245 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.61 -29.45 27.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.368 0.667 . . . . 74.02 110.721 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.09 -12.74 43.28 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.684 0.794 . . . . 74.42 111.752 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.791 0 N-CA-C 110.457 -1.057 . . . . 52.41 110.457 -179.115 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.479 ' HB ' HG13 ' A' ' 76' ' ' ILE . 33.1 mm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.762 -0.829 . . . . 72.54 108.762 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.0 134.52 34.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.643 0.377 . . . . 72.01 111.57 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.39 141.26 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.39 1.076 . . . . 71.43 109.258 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.9 m -138.81 109.16 6.48 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.263 1.025 . . . . 74.25 108.757 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -86.86 99.59 11.94 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.858 -0.793 . . . . 75.12 108.858 175.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.29 130.64 56.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.094 -0.957 . . . . 73.45 109.15 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.34 31.67 81.54 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-O 119.332 -0.705 . . . . 75.45 113.005 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 65.32 12.42 8.06 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 125.229 1.412 . . . . 63.03 112.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 m -103.98 144.73 31.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.425 1.09 . . . . 74.4 108.715 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG11 ' HB1' ' A' ' 62' ' ' ALA . 3.2 p -91.08 109.34 20.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 121.843 0.83 . . . . 64.34 108.971 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.4 m -121.23 123.77 43.04 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 114.993 -1.003 . . . . 65.22 109.419 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.47 143.36 35.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.218 -0.66 . . . . 71.24 109.218 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 123.906 0.883 . . . . 72.44 109.112 -179.171 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.246 0.546 . . . . 75.13 110.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 58.1 mt -108.09 118.95 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.063 0.945 . . . . 74.52 109.445 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -80.77 146.45 30.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.809 0.844 . . . . 72.14 110.67 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 46.2 t -128.4 107.21 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 106.725 -1.583 . . . . 73.3 106.725 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 58' ' ' THR . 86.5 mt-30 -113.4 104.07 11.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.801 -0.814 . . . . 74.02 108.801 -176.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.672 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 27.4 t-20 -104.69 117.46 34.14 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.261 -0.644 . . . . 74.5 109.261 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -120.17 109.56 15.57 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.427 -0.953 . . . . 73.22 108.427 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 108.406 -0.961 . . . . 74.12 108.406 173.21 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.672 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 55.4 m-85 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 109.173 -0.677 . . . . 75.34 109.173 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.4 m -139.05 125.54 20.49 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.57 0.748 . . . . 74.41 109.438 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 67.4 m-85 -123.42 148.66 45.91 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.284 1.033 . . . . 71.42 108.259 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.2 m -129.95 108.0 9.78 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.328 -0.989 . . . . 74.21 108.328 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.601 HG21 ' HB2' ' A' ' 37' ' ' LEU . 33.5 m -104.75 160.74 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.516 0.727 . . . . 64.42 110.3 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 HG22 ' HG1' ' A' ' 33' ' ' THR . 14.6 t -112.95 -13.89 13.08 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.049 0.54 . . . . 72.43 110.089 172.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.506 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 37.6 m -125.65 144.55 50.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.301 1.041 . . . . 73.41 109.999 -176.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 40.8 mt-10 -65.32 -38.24 89.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.293 1.037 . . . . 71.41 110.837 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.418 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 23.9 m -58.53 -44.02 89.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.21 -0.904 . . . . 71.41 111.643 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 52.6 mt-10 -60.53 -37.28 80.69 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.005 0.816 . . . . 61.22 110.92 178.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 31' ' ' VAL . 7.9 tt -68.69 -35.58 77.38 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.818 -0.628 . . . . 74.2 110.865 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.99 -35.56 75.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.952 0.501 . . . . 74.31 110.767 174.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -71.14 -49.78 40.43 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.73 -0.668 . . . . 75.24 110.464 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 37' ' ' LEU . 15.5 m -64.1 -27.48 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 123.004 0.19 . . . . 73.15 111.023 -176.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 78' ' ' VAL . 2.6 mm? -81.14 -36.21 30.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.946 0.898 . . . . 72.14 111.97 175.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.35 -43.73 88.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.378 0.671 . . . . 73.52 110.357 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.93 -35.91 28.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.184 -0.916 . . . . 74.32 111.205 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 30.5 tp -54.68 -36.62 64.83 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.997 0.919 . . . . 74.23 110.871 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -52.49 -43.66 65.17 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.566 1.546 . . . . 75.25 112.008 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 27.3 t70 -66.29 -41.62 89.54 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.197 0.999 . . . . 70.42 111.321 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HB3' ' HH ' ' A' ' 27' ' ' TYR . 85.4 m-85 -62.35 -49.1 76.91 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.748 0.655 . . . . 73.13 111.755 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.24 -37.11 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.882 0.873 . . . . 75.01 110.275 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HB2' HD22 ' A' ' 82' ' ' LEU . 32.9 ttpt -61.29 -43.8 98.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.33 1.052 . . . . 72.4 110.679 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 124.682 1.193 . . . . 75.24 110.407 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 108.92 -0.77 . . . . 74.33 108.92 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.5 p -131.61 121.76 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.452 -1.314 . . . . 74.22 107.452 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -137.65 140.36 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.14 0.576 . . . . 74.24 109.455 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 10.0 m -140.15 132.69 28.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.775 0.43 . . . . 65.03 110.388 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 m -113.59 120.64 41.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.088 0.955 . . . . 74.33 108.95 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.2 mt -115.93 134.25 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.761 0.825 . . . . 74.3 109.78 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 44.4 m -64.49 135.8 56.42 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.92 0.488 . . . . 74.11 111.266 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.15 136.22 34.89 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.766 1.226 . . . . 74.23 109.171 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -94.95 -60.5 1.67 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.295 0.638 . . . . 63.44 109.544 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.2 p -102.1 170.12 8.31 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.56 -0.533 . . . . 73.24 109.56 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -74.06 -28.39 61.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.242 0.46 . . . . 72.05 112.242 -174.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -70.24 -31.93 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 117.658 0.208 . . . . 73.51 110.793 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.5 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.1 mt-10 -68.0 -36.94 80.83 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.086 -0.506 . . . . 74.54 110.239 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.02 93.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.855 -0.611 . . . . 61.34 111.179 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 51.5 mt-10 -74.44 -37.05 63.38 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.949 0.499 . . . . 70.13 112.275 -176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.3 pttt -72.51 -39.1 67.87 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.781 0.264 . . . . 73.12 111.071 -178.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 37' ' ' LEU . 72.6 m-85 -76.74 -24.66 53.0 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.083 0.239 . . . . 73.21 111.485 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.513 ' HB1' HG21 ' A' ' 96' ' ' VAL . . . -58.99 -45.96 89.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.43 -0.581 . . . . 71.42 109.43 168.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.12 93.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.96 -1.018 . . . . 73.24 111.146 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.99 -28.1 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.794 0.837 . . . . 73.34 110.909 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.17 -48.9 12.43 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.184 -0.462 . . . . 74.53 111.326 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 72' ' ' ALA . 46.6 mt -58.81 -35.61 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 C-N-CA 123.386 0.674 . . . . 74.1 111.311 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -25.11 67.01 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.61 0.764 . . . . 74.41 111.534 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 41' ' ' LEU . 14.1 t -84.63 -48.24 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.135 0.974 . . . . 73.53 110.846 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -65.44 -40.96 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.808 0.843 . . . . 70.3 112.156 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.93 73.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.864 0.727 . . . . 72.55 111.882 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.12 -47.07 81.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.372 0.669 . . . . 74.52 110.24 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 49' ' ' LYS . 70.9 mt -68.92 -27.36 65.69 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.003 -0.999 . . . . 74.44 111.374 -176.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.986 0 N-CA-C 111.01 -0.836 . . . . 72.44 111.01 179.251 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.014 -0.735 . . . . 72.22 109.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -87.26 130.07 34.73 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.969 0.507 . . . . 75.11 109.86 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.408 HG21 HD13 ' A' ' 76' ' ' ILE . 61.1 t -117.87 120.01 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.534 1.134 . . . . 75.24 108.66 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m -119.05 108.6 14.92 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.908 0.883 . . . . 74.4 109.513 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -73.01 115.08 11.89 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.484 -0.932 . . . . 64.2 108.484 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -131.7 73.78 1.55 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.448 0.699 . . . . 73.1 110.386 -170.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.78 -105.22 1.1 Allowed Glycine 0 C--N 1.346 1.133 0 CA-C-N 114.855 -1.066 . . . . 75.25 113.65 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.99 6.6 47.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.782 0.833 . . . . 71.21 111.322 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 p -141.47 132.75 26.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.943 0.897 . . . . 74.23 111.206 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.513 HG21 ' HB1' ' A' ' 72' ' ' ALA . 7.2 p -94.21 112.87 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 N-CA-C 108.832 -0.803 . . . . 62.34 108.832 168.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.1 m -101.53 104.12 15.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.387 1.075 . . . . 71.24 110.38 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.15 128.85 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.738 0.815 . . . . 62.41 109.027 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.243 0.743 0 C-N-CA 123.867 0.867 . . . . 74.02 110.145 -175.782 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.242 0.703 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 52.8 mt -83.14 102.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.031 -0.729 . . . . 75.42 109.031 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -85.67 120.98 27.7 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 109.014 -0.735 . . . . 75.34 109.014 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.0 t -111.03 123.65 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.475 -1.305 . . . . 71.14 107.475 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -134.54 114.49 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.415 -0.957 . . . . 74.22 108.415 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 23.8 t-20 -104.23 146.23 29.09 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.39 -0.596 . . . . 73.04 109.39 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -122.34 108.58 13.4 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 107.961 -1.126 . . . . 70.22 107.961 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 C--O 1.24 0.578 0 N-CA-C 108.315 -0.995 . . . . 73.25 108.315 178.017 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 87.2 m-85 . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.703 -0.11 . . . . 74.15 110.703 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 71.9 m -105.42 117.57 34.35 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.291 0.636 . . . . 75.44 110.6 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -128.51 157.78 40.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.49 0.716 . . . . 74.24 109.186 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.03 129.35 41.89 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.687 -0.857 . . . . 73.02 108.687 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.85 132.25 61.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.873 0.869 . . . . 74.34 108.885 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.047 0.539 . . . . 65.34 111.672 -176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 30.2 m -141.18 151.11 43.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.605 0.762 . . . . 75.22 110.878 -178.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -66.17 -39.3 89.65 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.427 1.491 . . . . 75.34 113.981 -171.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 t -70.55 -31.8 68.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.268 0.227 . . . . 64.04 111.257 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 6.4 mm-40 -64.69 -30.16 71.17 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.554 0.692 . . . . 72.1 110.177 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD22 HG22 ' A' ' 12' ' ' ILE . 25.0 tp -66.4 -33.69 76.28 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.197 -1.365 . . . . 75.1 112.063 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -61.34 -38.51 87.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.309 0.643 . . . . 75.22 111.119 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -68.89 -53.5 20.82 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.599 0.759 . . . . 74.33 110.641 -179.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.12 -28.42 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.718 -0.674 . . . . 75.34 112.089 -167.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HG ' HG23 ' A' ' 74' ' ' ILE . 3.6 mm? -71.76 -39.91 69.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.711 0.404 . . . . 73.54 111.593 174.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.39 -30.68 68.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.231 0.612 . . . . 73.4 111.294 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.35 -37.28 18.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.84 0.456 . . . . 74.3 110.893 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 27' ' ' TYR . 45.2 tp -62.72 -34.86 78.04 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.22 0.608 . . . . 74.21 110.381 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -45.61 -46.82 14.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.717 1.607 . . . . 75.13 112.427 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.29 -35.58 73.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 64.52 111.521 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.96 -23.57 60.68 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.311 0.644 . . . . 75.31 111.803 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -81.89 -48.08 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.225 1.01 . . . . 74.44 109.747 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -68.42 -22.18 64.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.905 0.882 . . . . 74.34 111.814 -171.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 123.828 0.851 . . . . 74.14 110.831 175.089 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.239 0.522 0 CA-C-O 121.64 0.733 . . . . 74.52 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -136.12 127.11 27.76 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 106.424 -1.695 . . . . 74.31 106.424 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -124.59 108.17 11.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.03 0.832 . . . . 75.42 109.073 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -97.86 140.47 32.18 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.765 0.426 . . . . 73.45 110.272 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -121.41 118.27 29.01 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.246 -1.39 . . . . 74.23 107.246 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.4 mt -120.15 126.66 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.986 0.914 . . . . 74.43 108.831 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.8 m -61.07 128.31 35.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.503 0.721 . . . . 74.32 110.992 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.33 114.64 16.46 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.239 1.016 . . . . 71.05 108.359 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 9.4 mmt180 -76.59 -22.19 54.58 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.038 0.446 . . . . 73.2 111.74 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -135.38 170.4 16.0 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.543 1.137 . . . . 74.32 108.704 171.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.56 -25.31 65.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.505 -0.316 . . . . 72.31 110.48 170.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -66.4 -34.2 77.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.332 0.653 . . . . 73.31 111.043 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.638 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 33.5 mm-40 -66.85 -43.58 83.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.541 -0.54 . . . . 72.45 109.541 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.21 71.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.18 0.992 . . . . 71.12 112.375 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.14 -58.64 4.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.535 0.734 . . . . 74.25 111.933 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 41.8 pttt -68.11 -28.88 67.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.676 -0.693 . . . . 73.32 111.714 -174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.3 m-30 -88.58 -17.83 29.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.428 0.691 . . . . 73.41 112.161 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HB1' ' HE1' ' A' ' 91' ' ' TRP . . . -59.98 -49.73 76.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.361 -0.977 . . . . 73.43 108.361 166.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.57 68.31 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.894 0.746 . . . . 63.01 112.404 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.442 HG23 ' HG ' ' A' ' 41' ' ' LEU . 57.7 mt -58.99 -45.33 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.85 0.86 . . . . 73.12 110.305 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.51 -37.67 68.31 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.082 -0.963 . . . . 71.1 112.462 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.426 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -59.38 -38.01 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 123.399 0.68 . . . . 74.44 110.084 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.82 -55.6 28.29 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.259 0.624 . . . . 72.21 111.136 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 69.1 t -53.02 -52.59 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.608 1.163 . . . . 75.51 111.752 -175.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -69.38 -35.31 75.68 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.398 -0.819 . . . . 72.02 111.936 -174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.99 73.45 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.777 0.431 . . . . 61.31 111.105 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -83.54 -16.58 44.94 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.602 0.761 . . . . 64.4 111.485 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 91.4 mt -77.47 -23.25 50.41 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.448 -0.575 . . . . 73.42 109.448 167.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.207 0 CA-C-N 115.351 -0.84 . . . . 34.53 112.321 178.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.426 HG13 HG13 ' A' ' 76' ' ' ILE . 48.9 mm . . . . . 0 C--O 1.237 0.428 0 N-CA-C 109.955 -0.387 . . . . 75.13 109.955 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.31 107.74 18.98 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.291 -1.374 . . . . 74.53 107.291 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.12 139.99 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.576 0.75 . . . . 64.1 110.05 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.3 m -129.82 119.64 23.7 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.537 1.135 . . . . 75.34 108.635 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.487 ' HE1' ' HB1' ' A' ' 72' ' ' ALA . 8.6 m-90 -97.33 98.52 10.04 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.044 -0.724 . . . . 73.22 109.044 173.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -80.64 -35.01 34.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.503 0.721 . . . . 55.32 109.928 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 -46.27 1.19 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.414 -0.812 . . . . 70.45 111.424 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.8 -24.76 35.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.359 0.664 . . . . 63.2 109.457 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 m -144.21 143.06 30.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.44 0.696 . . . . 72.14 109.744 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.18 138.01 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 108.38 -0.97 . . . . 74.33 108.38 164.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.3 m -131.98 135.48 46.59 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.538 0.735 . . . . 72.44 109.212 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.53 140.9 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.956 -1.127 . . . . 73.35 107.956 172.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 74.51 109.775 -177.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 . . . . . 0 C--O 1.241 0.643 0 CA-C-O 121.234 0.54 . . . . 63.14 111.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 41.6 mt -78.21 105.19 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.934 -1.03 . . . . 75.43 109.639 -176.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -86.77 113.98 23.06 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.872 -0.788 . . . . 74.13 108.872 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.7 t -100.21 123.39 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.471 1.109 . . . . 63.32 108.377 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -128.86 151.81 49.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.369 1.068 . . . . 63.14 108.878 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -136.57 116.88 13.59 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.441 -0.948 . . . . 72.2 108.441 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.51 110.45 22.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.094 -1.076 . . . . 75.43 108.094 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m120 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 107.131 -1.433 . . . . 74.31 107.131 177.529 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 108.192 -1.04 . . . . 71.3 108.192 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -135.55 128.0 30.48 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.01 0.368 . . . . 72.52 110.651 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.65 133.41 43.55 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.118 1.367 . . . . 75.51 108.045 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -114.66 109.3 18.01 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.247 -0.649 . . . . 74.2 109.247 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG22 ' HB2' ' A' ' 37' ' ' LEU . 30.5 m -114.84 155.6 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.713 0.805 . . . . 74.2 109.746 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 t -111.29 -4.09 15.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.735 0.414 . . . . 70.2 110.665 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.533 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 3.4 m -133.26 143.8 49.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.622 0.769 . . . . 74.2 109.694 -177.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -68.11 -33.26 74.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 72.43 110.98 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 m -58.21 -46.95 84.94 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.165 -0.925 . . . . 72.22 110.986 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 42.6 mt-10 -60.44 -46.05 91.43 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.781 0.833 . . . . 71.51 110.002 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' HB2' HG22 ' A' ' 31' ' ' VAL . 5.6 tt -55.62 -35.73 66.2 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.285 -1.325 . . . . 75.0 112.319 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.24 -46.79 82.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.248 0.619 . . . . 74.5 111.423 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -31.2 62.56 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.927 0.491 . . . . 71.32 111.081 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.41 -40.71 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.828 0.851 . . . . 74.14 111.01 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.5 HD13 HG22 ' A' ' 78' ' ' VAL . 4.2 mm? -71.45 -29.24 64.63 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.042 0.537 . . . . 72.23 112.301 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -75.04 -43.97 50.43 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.188 0.595 . . . . 74.12 111.237 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.57 -39.58 77.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.498 0.319 . . . . 74.32 110.493 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.35 -43.82 96.61 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.215 1.006 . . . . 74.03 110.122 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -47.52 -45.67 26.82 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.495 1.518 . . . . 74.12 112.039 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.9 -1.045 . . . . 72.15 111.025 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.6 -36.13 68.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.592 0.757 . . . . 74.3 112.206 -173.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.5 -44.93 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.907 0.883 . . . . 72.41 109.591 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.498 ' HB2' HD22 ' A' ' 82' ' ' LEU . 33.2 ttpt -69.24 -44.78 71.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.268 1.427 . . . . 74.44 111.968 -178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 124.758 1.223 . . . . 75.42 111.484 -169.553 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 N-CA-C 109.209 -0.663 . . . . 73.15 109.209 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -137.21 129.1 29.03 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.451 -0.944 . . . . 74.21 108.451 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HA ' ' HH ' ' A' ' 79' ' ' TYR . 76.2 mtt180 -117.61 127.19 53.71 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.369 -0.604 . . . . 72.33 109.369 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.523 ' HB ' HD21 ' A' ' 75' ' ' LEU . 13.0 m -97.1 144.04 27.34 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.944 -1.132 . . . . 75.31 107.944 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 13.0 t -137.86 120.94 16.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.51 0.724 . . . . 74.33 109.463 -170.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.47 HD13 HD11 ' A' ' 37' ' ' LEU . 55.9 mt -121.2 134.63 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.015 0.926 . . . . 65.31 109.639 -173.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.439 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 62.1 m -68.21 138.7 55.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.445 0.698 . . . . 64.44 110.968 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.44 129.08 19.21 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.018 0.927 . . . . 74.13 109.026 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -93.56 -43.44 8.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.739 0.416 . . . . 71.43 110.102 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -105.03 166.37 10.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.589 0.756 . . . . 75.22 109.761 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.611 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -62.32 -35.62 79.65 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 123.968 0.792 . . . . 74.22 110.796 177.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.57 -36.74 83.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.369 0.668 . . . . 74.52 110.761 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 50.7 mt-10 -68.69 -39.5 80.52 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 115.589 -0.732 . . . . 73.54 110.376 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.4 89.8 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.719 0.407 . . . . 74.3 111.215 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.14 -36.61 58.7 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 71.41 111.673 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 61.8 pttt -82.07 -41.49 20.52 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 119.198 -0.429 . . . . 74.42 111.997 -174.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -70.43 -26.06 63.49 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.232 0.469 . . . . 71.3 110.865 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.5 -50.13 74.05 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.787 0.679 . . . . 72.14 109.651 168.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -64.21 -36.75 85.08 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.511 0.725 . . . . 74.44 111.879 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.51 -41.06 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 124.645 1.178 . . . . 75.22 110.466 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 HD21 ' HB ' ' A' ' 58' ' ' THR . 95.8 mt -67.9 -42.94 80.36 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.773 0.829 . . . . 73.22 112.371 173.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.6 mp -58.08 -36.38 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 123.03 0.532 . . . . 74.31 110.737 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.9 mtpt -62.58 -42.84 99.8 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.714 0.805 . . . . 73.21 111.748 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 41' ' ' LEU . 31.2 t -61.66 -49.75 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.078 0.951 . . . . 75.41 111.198 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' HH ' ' HA ' ' A' ' 57' ' ' ARG . 89.9 m-85 -72.67 -22.4 60.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.775 0.43 . . . . 74.32 111.997 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.01 73.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.376 0.67 . . . . 75.42 110.714 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.97 -40.64 68.47 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.472 -0.785 . . . . 74.34 110.333 172.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 49' ' ' LYS . 85.1 mt -68.02 -24.37 65.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 74.22 112.213 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.858 0 O-C-N 123.395 0.434 . . . . 60.3 112.215 175.86 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.401 ' HB ' HG13 ' A' ' 76' ' ' ILE . 20.8 mm . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 108.734 -0.839 . . . . 74.24 108.734 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -93.37 141.46 28.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.873 0.869 . . . . 74.44 109.844 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.423 ' HB ' HD11 ' A' ' 76' ' ' ILE . 2.7 p -121.58 130.59 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.896 0.878 . . . . 72.42 108.872 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.7 m -129.46 104.75 7.66 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.203 -0.666 . . . . 71.52 109.203 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -78.2 109.59 12.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.852 -0.796 . . . . 72.42 108.852 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.17 -6.55 59.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.205 0.602 . . . . 64.21 110.72 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.13 -104.39 0.77 Allowed Glycine 0 C--N 1.349 1.292 0 N-CA-C 111.255 -0.738 . . . . 74.2 111.255 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.56 0.72 25.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.951 0.9 . . . . 75.32 112.144 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.9 m -141.99 130.18 22.16 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.014 -1.106 . . . . 74.14 108.014 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 59' ' ' SER . 17.6 m -92.78 144.33 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.596 0.758 . . . . 74.33 108.983 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.8 m -136.32 106.63 6.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.258 0.623 . . . . 73.41 109.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 44.5 t -104.35 138.96 26.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 123.624 0.77 . . . . 71.43 110.628 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.265 1.426 . . . . 71.51 108.715 -174.495 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.028 0.442 . . . . 73.24 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -76.19 103.54 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.37 -0.832 . . . . 74.52 109.864 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.3 118.81 37.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.897 0.479 . . . . 74.31 110.273 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -92.97 127.35 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.346 1.059 . . . . 74.33 108.96 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' HG2' HG22 ' A' ' 28' ' ' THR . 46.5 mt-30 -133.51 109.8 9.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.479 0.712 . . . . 75.24 109.798 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.638 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 t-20 -104.48 122.43 45.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 110.002 -0.37 . . . . 73.51 110.002 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.31 123.61 47.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.598 -0.89 . . . . 71.04 108.598 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 p30 . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 108.95 -0.759 . . . . 74.01 108.95 178.28 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.638 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 40.5 m-85 . . . . . 0 CA--C 1.557 1.231 0 N-CA-C 112.204 0.446 . . . . 72.32 112.204 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.522 HG22 ' HG2' ' A' ' 15' ' ' GLN . 60.9 m -94.49 119.63 33.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.711 0.805 . . . . 74.11 110.955 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -131.85 158.7 40.64 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.351 1.06 . . . . 75.54 109.34 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -130.41 111.57 12.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.367 0.667 . . . . 74.1 109.772 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.36 143.64 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.816 0.846 . . . . 74.33 110.05 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -98.05 -4.69 35.45 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 122.015 -0.428 . . . . 74.15 111.12 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.3 m -123.1 137.97 54.78 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.249 0.62 . . . . 71.4 110.269 -176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.29 -30.74 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.341 1.056 . . . . 72.4 111.181 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.4 m -58.58 -54.69 44.21 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.523 0.729 . . . . 73.2 110.322 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -67.03 -21.82 65.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.346 -0.843 . . . . 75.34 112.344 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.495 HD22 HG22 ' A' ' 74' ' ' ILE . 1.7 tt -63.6 -51.0 67.17 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.653 0.781 . . . . 73.01 108.899 170.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -63.7 -34.01 76.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.874 0.87 . . . . 74.24 111.896 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -63.14 -60.01 4.0 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.719 -0.474 . . . . 72.11 109.719 172.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.09 -23.07 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 71.44 112.293 -166.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.21 -41.66 63.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.432 0.693 . . . . 74.12 110.665 175.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.7 -27.25 61.96 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.198 -0.91 . . . . 75.12 110.048 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -75.66 -40.62 55.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.044 0.538 . . . . 75.51 110.137 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 tp -70.27 -23.49 62.89 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.966 -0.561 . . . . 72.2 110.655 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG3' HD23 ' A' ' 82' ' ' LEU . 37.9 ttpt -54.42 -39.42 67.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.21 1.004 . . . . 74.54 111.383 174.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.09 -44.11 87.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.86 0.864 . . . . 73.21 111.062 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -66.63 -54.87 18.66 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.349 0.66 . . . . 74.35 110.765 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -58.75 -40.44 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 124.065 0.946 . . . . 74.01 111.537 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -69.15 -47.47 64.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.62 1.168 . . . . 73.51 111.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt . . . . . 0 CA--C 1.541 0.603 0 CA-C-N 114.658 -1.156 . . . . 74.42 111.483 -172.779 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.771 -0.455 . . . . 74.15 109.771 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 t -139.55 127.75 22.54 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.001 -0.74 . . . . 71.22 109.001 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -140.12 123.14 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.428 -0.582 . . . . 74.13 109.428 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -101.46 151.35 22.05 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.384 0.674 . . . . 74.24 110.422 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -142.22 119.43 11.46 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 108.384 -0.969 . . . . 71.34 108.384 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 HD12 HD23 ' A' ' 37' ' ' LEU . 34.3 mt -118.2 127.4 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 124.293 1.037 . . . . 72.5 110.366 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 85.0 m -60.33 124.15 19.43 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.543 0.737 . . . . 75.11 110.79 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.06 102.68 6.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.391 1.077 . . . . 61.1 109.43 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -58.47 -34.56 71.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.199 0.6 . . . . 75.34 112.242 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -128.35 166.9 17.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.192 0.997 . . . . 73.13 109.797 174.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.076 -0.511 . . . . 74.43 110.153 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -50.97 -47.28 61.34 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.139 1.376 . . . . 70.13 110.325 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -67.09 -47.62 70.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.558 -0.746 . . . . 73.12 110.404 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.32 71.14 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.372 1.045 . . . . 70.11 112.853 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 42.1 mt-10 -76.46 -44.6 34.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.617 0.767 . . . . 73.13 111.862 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -78.63 -23.61 45.73 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.395 0.517 . . . . 73.45 112.395 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -90.52 -19.43 23.81 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.926 0.49 . . . . 74.15 111.773 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' ' 96' ' ' VAL . . . -60.61 -43.89 96.92 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 108.773 -0.825 . . . . 64.13 108.773 164.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.41 72.92 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.077 -0.965 . . . . 73.34 112.001 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.495 HG22 HD22 ' A' ' 37' ' ' LEU . 58.6 mt -62.5 -42.13 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.337 0.655 . . . . 72.34 110.759 173.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 HD23 HD11 ' A' ' 60' ' ' ILE . 98.3 mt -74.6 -35.7 62.97 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.737 -0.665 . . . . 74.21 112.188 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.596 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -66.9 -36.97 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.158 0.583 . . . . 74.12 109.731 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.85 -48.12 82.0 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.846 0.858 . . . . 75.12 111.373 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG23 HD13 ' A' ' 41' ' ' LEU . 58.4 t -71.17 -42.09 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.782 -1.099 . . . . 73.21 111.626 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -75.95 -18.52 59.3 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.248 0.619 . . . . 73.22 112.261 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.13 -29.63 63.03 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.994 0.518 . . . . 75.22 110.638 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.34 -32.78 64.75 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.413 -0.812 . . . . 71.52 110.241 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.413 HD23 ' HG3' ' A' ' 45' ' ' LYS . 60.5 mt -77.39 -26.23 51.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.639 -0.71 . . . . 74.11 111.282 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.626 0 N-CA-C 110.186 -1.166 . . . . 64.33 110.186 176.39 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.596 ' HB ' HG13 ' A' ' 76' ' ' ILE . 14.2 mm . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 109.646 -0.502 . . . . 73.3 109.646 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -88.3 121.34 30.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.433 0.693 . . . . 74.22 109.773 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.479 HG22 HD11 ' A' ' 76' ' ' ILE . 15.8 t -107.96 131.42 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.058 0.543 . . . . 74.22 110.196 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -119.34 107.79 13.8 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.35 -0.981 . . . . 75.21 108.35 169.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.469 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 19.6 m-90 -81.21 100.08 8.92 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.561 -0.904 . . . . 72.35 108.561 173.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 95' ' ' THR . 22.0 t70 -73.95 -44.93 53.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.238 0.615 . . . . 74.53 110.565 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.11 -82.0 0.21 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.649 -0.581 . . . . 61.2 111.649 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.63 -10.41 59.51 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.217 0.607 . . . . 70.41 110.932 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 69.3 m -145.29 143.99 30.51 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.019 1.328 . . . . 73.22 108.38 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 72' ' ' ALA . 7.1 p -97.43 139.49 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 108.382 -0.97 . . . . 72.51 108.382 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -129.53 104.1 7.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.838 -0.801 . . . . 74.21 108.838 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.45 135.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.294 0.638 . . . . 74.14 109.899 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.245 0.823 0 C-N-CA 124.45 1.1 . . . . 71.21 108.318 -174.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.154 0.502 . . . . 64.24 112.254 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -79.63 104.18 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.279 -0.873 . . . . 73.43 110.458 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -94.85 132.63 39.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.815 -0.809 . . . . 75.12 108.815 169.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.2 t -118.57 130.05 73.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 C-N-CA 124.818 1.247 . . . . 72.51 107.954 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.75 144.83 50.04 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.388 -0.967 . . . . 74.03 108.388 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.5 t-20 -140.28 128.61 22.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.686 0.394 . . . . 73.53 110.087 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.449 ' O ' ' HA ' ' A' ' 56' ' ' SER . 15.3 m120 -107.61 112.93 25.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.741 1.216 . . . . 73.32 108.997 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.3 m120 . . . . . 0 N--CA 1.481 1.119 0 C-N-CA 122.594 0.358 . . . . 41.43 110.856 -175.183 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.473 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.7 m-85 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 112.351 0.5 . . . . 73.03 112.351 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 17.3 m -85.84 126.0 33.71 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.441 -0.577 . . . . 64.43 109.441 172.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -123.37 155.75 36.74 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.686 0.794 . . . . 73.42 109.84 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.59 105.56 7.62 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.333 -0.988 . . . . 65.41 108.333 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.95 144.98 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 108.657 -0.868 . . . . 73.21 108.657 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -98.08 -31.51 12.09 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.062 0.458 . . . . 72.4 110.069 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.579 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 22.6 m -99.47 139.99 34.32 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 73.41 109.444 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 36.7 mt-10 -66.98 -28.16 68.03 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.71 0.804 . . . . 53.45 111.328 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.464 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 33.6 t -64.23 -45.67 87.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.872 0.869 . . . . 75.2 110.685 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.579 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 51.7 mt-10 -57.85 -27.95 63.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.708 0.803 . . . . 73.34 111.139 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' HA ' HG12 ' A' ' 40' ' ' VAL . 27.4 tp -70.87 -36.93 73.03 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.686 -0.688 . . . . 74.1 111.387 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.16 -32.94 73.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 63.22 110.127 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -73.46 -47.62 39.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.187 0.995 . . . . 75.22 111.091 177.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.7 p -65.87 -42.01 91.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 119.127 -0.463 . . . . 70.23 110.657 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 HG22 ' A' ' 78' ' ' VAL . 3.1 mm? -64.8 -29.25 70.21 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.453 0.301 . . . . 75.12 111.806 177.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.55 -50.99 67.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.271 0.628 . . . . 70.2 110.581 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.46 -29.82 27.73 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.279 0.474 . . . . 65.1 112.279 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -69.66 -32.9 71.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.219 0.607 . . . . 73.35 109.819 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG3' HG11 ' A' ' 78' ' ' VAL . 36.1 ttpt -49.94 -37.1 30.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.037 1.335 . . . . 74.11 112.082 175.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.16 -43.37 91.99 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.813 0.845 . . . . 72.0 111.088 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -72.88 -34.23 66.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.43 0.692 . . . . 73.13 110.486 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 56' ' ' SER . 79.6 mt -68.94 -30.33 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 125.427 1.491 . . . . 75.35 110.432 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -85.22 -31.5 23.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.963 0.905 . . . . 74.42 110.303 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 124.311 1.044 . . . . 75.35 109.868 177.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 121.561 0.696 . . . . 75.33 111.577 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.596 ' HB2' HG22 ' A' ' 48' ' ' ILE . 50.0 m -133.4 119.66 19.93 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.24 -1.393 . . . . 71.43 107.24 166.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -98.91 122.91 42.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.568 0.747 . . . . 72.52 110.844 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 m -102.25 143.29 32.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.223 0.609 . . . . 74.34 109.573 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -141.42 119.97 12.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.672 -1.233 . . . . 72.52 107.672 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.5 mt -124.91 139.28 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.048 0.939 . . . . 74.34 110.452 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -56.56 130.52 45.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.218 1.007 . . . . 74.14 111.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.07 133.45 35.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.031 0.932 . . . . 63.41 108.847 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -94.17 -40.48 10.01 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.865 -0.522 . . . . 73.43 110.975 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.435 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 67.9 p -122.61 171.46 9.12 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.893 0.877 . . . . 75.42 108.968 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -64.36 -30.09 71.15 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.453 0.301 . . . . 70.14 110.571 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -67.31 -31.31 71.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.49 0.716 . . . . 74.34 110.308 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 6.9 mm-40 -73.81 -40.07 63.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.685 0.755 . . . . 73.11 110.065 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB2' ' HD1' ' A' ' 91' ' ' TRP . . . -66.63 -38.07 86.14 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.581 -1.19 . . . . 63.32 111.964 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.04 -32.46 30.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.654 0.382 . . . . 74.13 111.642 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 64.6 pttt -69.26 -36.17 76.84 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.767 0.318 . . . . 70.45 110.207 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 17.1 m-30 -88.29 -17.23 31.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.214 0.605 . . . . 74.43 112.624 177.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 91' ' ' TRP . . . -58.42 -43.12 88.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.204 -0.665 . . . . 74.23 109.204 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.7 80.26 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.081 0.863 . . . . 73.0 111.936 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.83 -36.79 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.148 0.979 . . . . 72.44 111.051 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.11 -45.02 15.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.865 0.466 . . . . 75.04 111.334 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.17 -32.8 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.819 0.848 . . . . 74.31 111.074 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.32 86.46 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.586 0.754 . . . . 75.55 111.289 174.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.507 HG22 HD12 ' A' ' 41' ' ' LEU . 37.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.851 0.861 . . . . 62.55 110.823 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.63 -29.07 69.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.813 0.845 . . . . 74.43 111.549 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.123 0.569 . . . . 62.04 110.879 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.99 -26.88 62.42 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.576 -0.738 . . . . 73.42 111.253 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 51.1 mt -73.95 -30.11 62.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.944 -0.391 . . . . 73.43 109.944 174.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.325 0 C-N-CA 124.624 1.107 . . . . 63.02 115.596 170.224 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.1 mm . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.639 -0.504 . . . . 71.33 109.639 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.68 112.15 24.3 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.795 -0.817 . . . . 71.5 108.795 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.2 p -108.35 138.94 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.715 -0.846 . . . . 72.15 108.715 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.6 m -144.46 125.2 14.17 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.808 0.843 . . . . 72.44 108.859 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.468 ' HD1' ' HB2' ' A' ' 68' ' ' ALA . 12.4 m-90 -99.95 106.84 18.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.451 0.7 . . . . 73.33 109.24 177.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.2 -24.05 65.81 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.667 0.787 . . . . 74.33 110.397 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.46 -61.62 0.31 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.985 -1.246 . . . . 73.11 109.985 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.89 -11.75 54.93 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.836 -0.682 . . . . 74.54 110.591 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 m -146.11 145.59 30.58 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.569 0.748 . . . . 71.13 109.542 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.71 133.28 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 108.747 -0.835 . . . . 74.31 108.747 166.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 m -135.02 121.07 19.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.115 0.566 . . . . 75.11 110.074 -174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.6 143.91 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.755 0.822 . . . . 74.12 109.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.551 0.981 0 C-N-CA 124.617 1.167 . . . . 73.52 108.501 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 121.234 0.54 . . . . 74.34 112.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' HG21 ' A' ' 31' ' ' VAL . 30.1 mt -78.2 103.45 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 114.301 -1.318 . . . . 73.33 109.374 -171.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -91.84 122.73 34.64 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 108.191 -1.04 . . . . 64.02 108.191 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 28' ' ' THR . 43.5 t -116.84 104.73 17.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 108.64 -0.874 . . . . 74.44 108.64 -175.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.0 108.2 18.84 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.981 -0.748 . . . . 75.13 108.981 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -102.82 109.98 21.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.324 -1.362 . . . . 74.35 107.324 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -103.74 118.28 36.34 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.523 -0.917 . . . . 74.31 108.523 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 m120 . . . . . 0 C--O 1.239 0.534 0 C-N-CA 123.603 0.761 . . . . 73.44 109.531 -168.603 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 109.881 -0.415 . . . . 70.43 109.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 36.9 m -93.65 124.48 37.68 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.256 175.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.51 164.0 16.44 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 124.711 1.205 . . . . 75.24 108.612 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.2 m -127.94 104.79 8.0 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG23 ' HB2' ' A' ' 37' ' ' LEU . 29.0 m -109.35 157.19 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 108.696 -0.853 . . . . 72.02 108.696 173.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.0 t -114.99 -9.41 12.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.303 0.641 . . . . 65.43 109.932 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.2 m -141.71 150.28 41.63 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 124.106 0.963 . . . . 62.12 109.924 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.7 -33.51 72.63 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.719 1.208 . . . . 73.1 111.805 -175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 p -58.96 -49.41 77.96 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.516 0.51 . . . . 63.11 110.028 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.36 -40.37 96.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.054 -0.975 . . . . 74.33 110.507 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HB2' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.44 -47.51 81.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.576 1.15 . . . . 74.5 112.047 177.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.25 -31.38 70.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.063 0.545 . . . . 75.4 111.266 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -70.42 -37.4 74.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.691 -0.485 . . . . 74.33 109.691 173.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.2 t -61.34 -39.19 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 O-C-N 123.724 0.64 . . . . 71.2 109.874 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 78' ' ' VAL . 2.9 mm? -68.36 -32.99 73.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.221 0.608 . . . . 73.32 111.947 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.36 -47.97 74.58 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.551 0.74 . . . . 75.04 110.788 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.05 -39.65 65.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.914 -0.585 . . . . 73.41 110.73 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.69 -38.8 91.82 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.51 1.124 . . . . 74.12 110.808 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.7 ttpt -49.08 -44.26 41.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.15 1.38 . . . . 75.42 111.429 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.98 -45.21 82.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.636 -1.165 . . . . 72.01 110.718 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -63.07 -54.93 30.34 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.362 0.665 . . . . 72.24 111.825 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -44.79 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.402 1.081 . . . . 75.54 111.128 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HB2' HD21 ' A' ' 82' ' ' LEU . 80.9 tttt -68.56 -40.5 80.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.268 -0.878 . . . . 73.14 110.918 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 123.86 0.864 . . . . 73.13 111.08 -176.56 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.76 0.314 . . . . 74.11 110.513 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.6 p -124.66 157.5 35.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.923 0.889 . . . . 54.44 109.509 173.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -127.77 109.95 12.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.785 0.834 . . . . 72.2 109.265 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.5 m -93.65 134.68 35.7 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.326 -0.62 . . . . 75.13 109.326 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 m -126.52 119.54 27.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.105 -1.072 . . . . 74.2 108.105 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.507 HG23 ' CD2' ' A' ' 71' ' ' PHE . 63.0 mt -121.2 134.16 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.786 0.834 . . . . 64.15 109.816 -173.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -59.7 122.1 13.3 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.0 0.812 . . . . 75.4 110.889 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.09 99.95 5.25 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.502 1.121 . . . . 74.0 108.414 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -86.18 -41.67 14.49 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.117 0.967 . . . . 73.11 109.401 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.6 p -104.31 155.23 18.93 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 114.9 -1.046 . . . . 73.3 109.646 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.25 -27.26 68.93 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.891 -0.595 . . . . 74.34 110.65 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 59.0 mmtt -64.21 -38.28 90.47 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 123.531 0.519 . . . . 72.23 111.608 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.98 -47.43 77.6 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.529 0.518 . . . . 71.34 109.744 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.56 -37.5 70.63 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 115.75 -0.659 . . . . 72.31 111.936 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -73.3 -59.55 2.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.098 0.959 . . . . 73.24 111.165 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 71' ' ' PHE . 57.0 pttt -68.27 -38.81 82.1 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.119 -0.491 . . . . 75.43 112.144 -169.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CD2' HG23 ' A' ' 60' ' ' ILE . 35.9 m-85 -68.28 -33.03 73.61 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.502 0.321 . . . . 74.2 110.804 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -58.38 -44.02 88.74 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 123.557 0.536 . . . . 72.54 110.403 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -60.92 -48.08 83.48 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.957 0.786 . . . . 74.55 110.881 176.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.02 -36.85 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.724 1.21 . . . . 72.42 111.174 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.37 -46.42 40.65 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.17 0.588 . . . . 75.24 111.124 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.638 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -57.48 -37.72 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 123.461 0.704 . . . . 73.5 111.237 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 61.6 mtpt -61.36 -48.78 79.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.657 0.783 . . . . 71.0 110.99 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 41' ' ' LEU . 76.7 t -69.56 -42.26 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.014 0.925 . . . . 64.33 111.24 -177.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -69.34 -25.17 64.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.621 0.768 . . . . 73.15 112.082 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.21 77.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.186 0.595 . . . . 62.3 110.384 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.02 -25.54 64.54 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.346 -0.843 . . . . 64.32 111.158 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 49' ' ' LYS . 43.4 mt -96.08 -26.0 15.68 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.831 0.853 . . . . 73.43 111.893 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.707 0 N-CA-C 110.958 -0.857 . . . . 63.54 110.958 -177.492 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.546 -0.539 . . . . 75.31 109.546 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -87.57 110.72 20.57 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.359 -0.608 . . . . 61.05 109.359 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.638 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.1 p -105.91 126.96 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.529 -0.915 . . . . 73.13 108.529 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.5 m -141.14 113.26 7.91 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.012 -0.736 . . . . 73.5 109.012 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -80.43 105.12 11.44 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 109.433 -0.58 . . . . 73.32 109.433 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.96 -27.09 68.9 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.054 0.942 . . . . 75.4 111.484 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.8 -80.24 0.33 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.232 -1.147 . . . . 74.53 110.232 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.1 -9.03 58.28 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.094 0.558 . . . . 74.04 110.836 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -142.43 144.7 33.19 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.425 1.09 . . . . 73.11 108.925 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -98.26 131.78 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 108.436 -0.95 . . . . 74.52 108.436 166.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.8 m -122.97 129.59 51.74 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.671 0.788 . . . . 63.32 109.716 -177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.42 130.58 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.972 . . . . 75.44 108.776 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.545 0.753 0 C-N-CA 124.082 0.953 . . . . 73.42 109.695 -178.052 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.044 -0.724 . . . . 74.12 109.044 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.22 105.26 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 115.766 -0.652 . . . . 75.01 110.281 -172.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -85.37 111.28 19.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.88 0.872 . . . . 73.42 109.202 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -92.14 108.75 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 107.984 -1.117 . . . . 72.15 107.984 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -101.94 111.26 23.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.757 0.823 . . . . 75.31 109.969 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.65 114.43 28.69 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.539 -0.912 . . . . 73.43 108.539 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . 26.4 t-20 -103.02 125.16 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.774 0.83 . . . . 74.01 109.033 174.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.198 -1.038 . . . . 74.12 108.198 176.088 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 121.429 0.633 . . . . 72.15 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -86.58 129.14 34.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.446 -0.797 . . . . 74.14 110.183 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -111.97 149.58 31.77 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.947 0.899 . . . . 74.44 109.0 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.9 m -129.4 105.02 7.83 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.117 -1.068 . . . . 72.45 108.117 173.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.26 132.65 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.566 0.746 . . . . 74.25 109.671 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.9 t -88.89 -17.04 30.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.106 0.562 . . . . 75.51 110.566 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 m -129.32 144.36 51.2 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.86 0.864 . . . . 71.44 109.976 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.03 -24.42 67.48 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.394 1.078 . . . . 75.11 112.62 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.0 p -61.71 -52.54 63.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.775 0.43 . . . . 72.23 110.194 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.833 0.853 . . . . 75.24 111.609 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 HD23 HD12 ' A' ' 60' ' ' ILE . 2.4 tt -58.52 -47.01 85.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.993 0.917 . . . . 73.22 109.451 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -57.95 -47.63 82.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.237 -0.892 . . . . 65.2 109.837 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.67 -50.72 71.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.135 0.574 . . . . 75.53 111.272 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 41' ' ' LEU . 34.4 m -60.83 -24.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 N-CA-C 112.458 0.54 . . . . 71.12 112.458 -171.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.57 ' HG ' HG21 ' A' ' 74' ' ' ILE . 4.4 mm? -78.37 -36.43 46.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.031 0.532 . . . . 74.43 111.86 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -64.32 -41.54 96.76 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 110.002 -0.37 . . . . 74.31 110.002 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -70.96 -44.49 65.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.763 0.664 . . . . 65.53 109.641 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.01 -40.25 76.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.103 0.961 . . . . 73.0 111.822 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 36.3 ttpt -54.82 -37.39 66.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.052 0.845 . . . . 74.5 111.483 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.68 -47.92 81.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.683 0.793 . . . . 74.53 110.481 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -65.07 -41.98 94.6 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.859 0.724 . . . . 73.25 111.39 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.44 -41.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.291 0.636 . . . . 74.52 110.456 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -79.93 -19.98 46.78 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.735 0.414 . . . . 74.13 111.315 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.355 0.598 . . . . 72.11 109.608 173.167 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.03 -0.73 . . . . 74.23 109.03 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -125.06 108.78 12.17 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.066 -1.087 . . . . 74.44 108.066 170.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 37.5 ttm180 -133.9 132.73 40.63 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.556 -1.275 . . . . 74.22 107.556 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.4 m -140.64 145.19 36.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.665 -0.865 . . . . 70.2 108.665 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -145.17 157.1 44.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.932 0.893 . . . . 73.11 109.115 -168.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 HD12 HD23 ' A' ' 37' ' ' LEU . 81.1 mt -143.15 131.51 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.91 0.884 . . . . 73.1 109.24 -174.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 m -62.14 136.4 57.93 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 123.578 0.549 . . . . 64.44 110.804 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.17 103.75 4.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.045 0.938 . . . . 73.44 109.203 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -65.9 -28.25 68.8 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.011 0.434 . . . . 74.03 110.613 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -130.89 160.86 33.22 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.013 0.925 . . . . 70.45 109.375 172.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 31.9 ttpt -64.79 -30.06 71.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.608 0.363 . . . . 73.01 110.817 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -34.78 71.74 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 117.95 0.341 . . . . 73.05 110.576 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 42.0 mt-10 -68.86 -43.13 76.05 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.686 -0.688 . . . . 74.34 110.422 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.26 69.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.298 0.639 . . . . 52.34 112.215 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 8.4 mm-40 -78.55 -52.51 8.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.934 0.494 . . . . 73.32 111.101 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.494 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 59.3 pttt -67.29 -29.98 69.72 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.027 0.441 . . . . 74.24 111.335 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 19.6 m-30 -89.03 -17.73 28.77 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.396 0.678 . . . . 75.33 112.4 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.98 -43.82 82.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.036 -0.728 . . . . 74.14 109.036 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.89 74.99 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.14 -0.936 . . . . 64.33 112.032 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.57 HG21 ' HG ' ' A' ' 41' ' ' LEU . 63.1 mt -62.25 -38.09 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.918 0.887 . . . . 74.31 110.735 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.68 -39.93 56.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.183 0.593 . . . . 74.24 111.173 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.13 -35.57 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 123.858 0.863 . . . . 73.42 111.063 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -59.02 -33.25 70.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.514 0.726 . . . . 73.51 111.856 177.35 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 41' ' ' LEU . 91.9 t -72.98 -57.58 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.442 0.697 . . . . 72.02 110.411 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.83 -21.85 62.4 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.861 0.689 . . . . 73.13 112.861 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.67 74.24 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.926 0.491 . . . . 71.13 110.442 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 7.3 mm-40 -87.1 -18.15 31.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.414 0.685 . . . . 73.03 111.326 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.3 mt -87.59 -12.61 45.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.174 0.59 . . . . 72.24 111.476 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.419 0 C-N-CA 121.933 -0.175 . . . . 55.31 113.478 178.071 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 108.224 -1.028 . . . . 74.34 108.224 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.1 t30 -124.37 104.15 8.61 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.859 -1.163 . . . . 74.14 107.859 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.56 139.12 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 109.524 -0.546 . . . . 73.23 109.524 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.7 m -146.05 129.22 16.62 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.804 1.242 . . . . 74.12 108.011 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.9 m-90 -102.58 112.09 24.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 71.23 109.443 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.66 0.47 55.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.889 0.876 . . . . 72.32 110.856 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.93 -78.63 1.0 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.874 -0.89 . . . . 63.31 110.874 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 -17.07 61.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.867 0.867 . . . . 63.4 111.275 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 m -145.55 146.23 31.32 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.877 0.871 . . . . 73.22 109.764 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.26 140.64 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.975 -0.75 . . . . 62.21 108.975 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.9 m -133.47 125.12 28.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.319 0.648 . . . . 64.2 110.26 -175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 88' ' ' ASN . 96.8 t -117.38 123.78 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 74.44 109.494 170.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 124.488 1.115 . . . . 75.33 108.607 176.787 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.18 0.514 . . . . 54.11 111.927 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.577 HG23 HD21 ' A' ' 37' ' ' LEU . 55.7 mt -88.86 107.71 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 115.295 -0.866 . . . . 74.01 109.82 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.87 141.51 33.33 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.952 0.501 . . . . 75.34 110.182 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 47.8 t -128.28 127.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.122 0.969 . . . . 73.23 109.33 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -135.06 118.14 16.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.371 0.668 . . . . 71.2 110.509 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.75 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 25.3 t-20 -105.16 113.0 26.33 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.78 -1.193 . . . . 72.3 107.78 168.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.59 123.76 48.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.672 -0.862 . . . . 75.24 108.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 56' ' ' SER . 51.7 t-20 . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 107.439 -1.319 . . . . 72.43 107.439 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.75 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.9 m-85 . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.438 0.637 . . . . 74.11 109.937 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 m -93.18 121.05 34.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.781 -1.099 . . . . 72.24 109.629 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' HH ' HD11 ' A' ' 44' ' ' LEU . 75.6 m-85 -132.62 155.97 47.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.74 0.816 . . . . 71.13 108.934 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.4 m -130.87 106.89 8.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.615 -1.254 . . . . 64.45 107.615 169.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' A' ' 12' ' ' ILE . 19.6 m -103.26 133.17 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.221 0.609 . . . . 75.35 109.477 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -86.7 -12.25 48.86 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.587 -0.733 . . . . 73.05 111.43 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.516 HG21 ' H ' ' A' ' 35' ' ' SER . 31.3 m -140.73 149.24 41.91 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.321 0.648 . . . . 72.34 110.014 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.98 -28.28 67.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.176 0.99 . . . . 73.22 110.628 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.516 ' H ' HG21 ' A' ' 33' ' ' THR . 11.5 m -64.26 -48.07 77.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.179 0.992 . . . . 74.1 110.131 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.35 -30.13 70.94 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.47 0.708 . . . . 74.35 110.851 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 12' ' ' ILE . 37.4 tp -67.74 -38.76 83.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.629 0.772 . . . . 72.52 111.142 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -64.77 -51.72 60.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.218 -0.66 . . . . 72.01 109.218 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -57.86 -46.24 85.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.677 1.191 . . . . 74.11 112.305 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.86 -35.36 69.07 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 CA-C-O 119.136 -0.459 . . . . 73.51 110.532 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD12 HG21 ' A' ' 78' ' ' VAL . 3.4 mm? -73.97 -29.65 62.1 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.022 0.529 . . . . 63.03 111.731 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.29 -47.74 84.26 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.65 0.593 . . . . 63.42 109.839 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.99 -32.72 39.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.531 0.52 . . . . 75.53 111.598 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 30.0 tp -61.33 -28.85 69.51 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.187 0.595 . . . . 74.31 110.758 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -46.38 -46.34 18.41 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.978 1.311 . . . . 74.24 112.654 173.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 31.2 t70 -65.25 -42.65 93.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.596 1.159 . . . . 70.42 110.956 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB2' HD12 ' A' ' 44' ' ' LEU . 96.1 m-85 -66.25 -44.38 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.078 0.951 . . . . 74.3 111.797 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.75 -40.05 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.717 1.207 . . . . 72.01 109.947 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -67.41 -29.0 68.38 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.969 0.907 . . . . 71.14 111.718 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 65.1 mttm . . . . . 0 N--CA 1.487 1.405 0 C-N-CA 123.322 0.649 . . . . 73.54 110.744 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 . . . . . 0 N--CA 1.476 0.849 0 CA-C-O 120.809 0.338 . . . . 74.11 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.454 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . 32.9 p -131.76 143.23 50.08 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.777 0.831 . . . . 72.13 108.935 172.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -120.82 110.13 15.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.382 1.073 . . . . 73.25 108.608 -175.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -107.43 118.25 36.24 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.731 -0.47 . . . . 72.44 109.731 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -109.71 120.47 42.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.901 0.881 . . . . 65.01 108.944 175.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.413 HD13 HD13 ' A' ' 37' ' ' LEU . 64.3 mt -112.59 127.83 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.835 -0.802 . . . . 74.13 108.835 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -66.73 101.57 0.82 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.138 0.575 . . . . 74.23 109.575 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -99.73 121.55 41.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.652 -1.24 . . . . 64.03 107.652 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.0 -30.38 69.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.839 -0.619 . . . . 74.41 112.56 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.406 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 69.3 p -131.61 170.96 14.03 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.891 . . . . 75.21 108.859 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -28.28 69.45 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.683 171.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.89 -44.67 91.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.369 1.067 . . . . 72.13 110.228 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.571 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.7 mm-40 -64.84 -42.33 95.0 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.757 -0.656 . . . . 74.33 110.081 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.62 67.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.5 0.926 . . . . 71.54 113.5 -175.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.83 -48.81 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.31 0.644 . . . . 61.21 111.853 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 52.6 pttt -77.52 -25.42 50.22 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.997 -0.547 . . . . 71.03 111.036 -175.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 13.4 m-30 -86.0 -19.44 30.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.736 0.415 . . . . 74.21 110.993 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.451 ' O ' HD12 ' A' ' 76' ' ' ILE . . . -60.07 -46.03 90.91 Favored 'General case' 0 C--O 1.205 -1.289 0 N-CA-C 108.158 -1.052 . . . . 74.51 108.158 164.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.65 82.71 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.066 0.547 . . . . 75.43 112.355 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.405 HG23 ' HG ' ' A' ' 41' ' ' LEU . 48.2 mt -58.32 -49.25 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 123.923 0.889 . . . . 74.34 110.981 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.91 -40.76 68.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.541 0.736 . . . . 73.12 112.386 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.666 HD11 HG23 ' A' ' 89' ' ' VAL . 1.3 mp -63.53 -34.66 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.593 0.757 . . . . 74.34 110.371 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -47.29 86.34 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.379 0.672 . . . . 74.11 110.368 175.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.551 HG21 HD12 ' A' ' 41' ' ' LEU . 49.8 t -56.62 -61.06 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.311 1.007 . . . . 75.33 111.246 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -67.63 -30.23 69.75 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.2 0.6 . . . . 75.35 112.421 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.95 85.76 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.762 0.425 . . . . 75.42 110.715 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -37.01 82.74 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.175 -0.92 . . . . 75.45 110.721 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.7 mt -69.65 -25.29 63.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.278 0.631 . . . . 74.42 112.054 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.129 0 CA-C-O 120.054 -0.303 . . . . 70.22 112.658 179.104 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.572 ' HB ' HG13 ' A' ' 76' ' ' ILE . 23.1 mm . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 110.838 -0.06 . . . . 75.43 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -88.62 118.03 28.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.281 0.632 . . . . 73.32 109.946 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.666 HG23 HD11 ' A' ' 76' ' ' ILE . 3.9 t -115.81 133.84 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.206 1.002 . . . . 72.31 109.408 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.9 m -141.87 124.67 16.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.597 -0.89 . . . . 74.23 108.597 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -98.7 148.05 24.25 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.587 -0.523 . . . . 73.5 109.587 174.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.59 113.46 4.15 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.58 -0.896 . . . . 72.02 108.58 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.02 46.46 92.56 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 116.065 -0.516 . . . . 72.4 112.911 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 7.8 m-20 65.54 7.99 4.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.086 1.354 . . . . 72.11 113.267 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -96.96 126.36 42.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.401 -0.963 . . . . 71.34 108.401 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -90.96 108.73 20.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 121.727 0.775 . . . . 75.34 109.394 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.1 m -107.52 105.29 15.12 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.604 -1.18 . . . . 72.14 109.194 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 68.3 t -111.73 110.35 31.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 123.866 0.866 . . . . 72.13 108.855 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 56' ' ' SER . 41.2 tt0 . . . . . 0 C--O 1.245 0.836 0 C-N-CA 123.57 0.748 . . . . 72.33 109.858 -177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 121.449 0.642 . . . . 71.42 109.566 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.546 HG23 HD13 ' A' ' 37' ' ' LEU . 44.9 mt -80.93 103.22 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.496 -1.229 . . . . 75.51 108.999 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.421 ' H ' ' HB ' ' A' ' 61' ' ' THR . 60.7 tt0 -87.38 113.32 22.98 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.567 0.747 . . . . 75.42 109.222 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.53 106.55 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.373 1.069 . . . . 71.1 108.257 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -108.47 143.13 37.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.918 0.887 . . . . 74.24 109.178 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.551 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.9 t-20 -146.15 116.35 7.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.123 -1.066 . . . . 73.45 108.123 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -101.95 111.85 24.26 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.343 1.057 . . . . 71.51 108.308 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 107.994 -1.113 . . . . 75.3 107.994 -175.109 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.1 m-85 . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.263 0.078 . . . . 75.13 111.077 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.7 m -139.44 122.08 16.34 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.356 0.662 . . . . 74.31 110.423 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -123.04 156.05 35.63 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.33 1.052 . . . . 73.35 108.783 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.3 m -132.45 112.2 11.93 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.968 -0.752 . . . . 75.3 108.968 172.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -116.11 143.16 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 109.067 -0.716 . . . . 73.4 109.067 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 t -104.02 16.07 27.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.061 0.544 . . . . 73.02 109.671 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.557 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 9.3 m -145.63 142.16 28.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.103 0.561 . . . . 75.31 109.976 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.39 -31.65 58.1 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.431 1.092 . . . . 73.13 111.007 -172.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -62.41 -38.46 89.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.385 -0.825 . . . . 73.45 110.42 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.557 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 29.1 mm-40 -67.1 -23.98 65.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.507 -0.77 . . . . 74.24 111.968 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.546 HD13 HG23 ' A' ' 12' ' ' ILE . 65.3 mt -59.08 -42.68 91.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.469 0.708 . . . . 74.32 111.187 171.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -59.6 -53.93 52.37 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.319 0.647 . . . . 73.32 110.245 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.68 -45.73 88.77 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.527 0.331 . . . . 74.24 111.595 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 p -72.81 -22.27 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 116.53 -0.304 . . . . 74.51 111.303 -171.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD13 HG23 ' A' ' 78' ' ' VAL . 3.9 mm? -84.58 -22.58 30.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.078 0.551 . . . . 75.41 111.812 173.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -64.3 -49.45 71.73 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.869 0.467 . . . . 73.0 110.241 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.31 -46.63 69.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.708 -0.678 . . . . 73.12 110.712 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.72 -28.64 70.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.678 0.791 . . . . 74.3 111.892 -173.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -49.77 -51.11 41.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.8 1.24 . . . . 73.13 112.251 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.51 -31.18 63.57 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.181 -0.918 . . . . 64.44 111.409 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -70.68 -44.48 66.92 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.052 0.541 . . . . 73.13 110.793 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.53 -40.45 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.625 1.17 . . . . 73.22 110.123 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.4 -48.61 76.57 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.071 0.948 . . . . 75.31 111.262 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt . . . . . 0 CA--C 1.549 0.914 0 CA-C-N 114.772 -1.104 . . . . 75.44 111.156 -177.702 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.15 0.5 . . . . 75.23 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 p -138.44 117.02 12.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.429 1.091 . . . . 73.23 109.594 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 99' ' ' GLU . 31.1 ttp-105 -92.84 109.17 20.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.648 0.779 . . . . 75.22 110.128 -174.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -97.89 145.62 26.25 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.4 0.68 . . . . 74.42 109.364 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -145.33 132.47 20.42 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.9 0.88 . . . . 65.34 108.688 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -121.26 130.58 74.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 123.54 0.736 . . . . 74.32 109.048 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.421 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 49.0 m -73.24 111.98 8.86 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.196 0.935 . . . . 74.12 110.212 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 94' ' ' ASP . . . -113.13 160.69 17.95 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 106.107 -1.812 . . . . 75.14 106.107 169.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 2.5 mmp_? -104.77 -32.36 8.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.715 -0.616 . . . . 74.32 109.873 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.9 p -126.02 161.88 26.54 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 124.451 1.1 . . . . 65.1 108.785 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -67.86 -26.81 66.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.735 0.414 . . . . 74.53 111.561 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -63.23 -29.85 71.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.624 0.77 . . . . 74.13 110.606 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.459 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.3 mt-10 -83.25 -33.71 25.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.048 -0.524 . . . . 74.54 110.657 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.97 71.37 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 122.854 0.462 . . . . 64.55 111.758 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.33 -38.32 56.11 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.833 0.453 . . . . 70.32 111.454 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.4 pttt -75.34 -26.57 58.71 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.993 0.425 . . . . 75.04 110.614 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -88.66 -18.06 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.139 0.576 . . . . 75.24 111.497 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.78 96.35 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.224 -1.028 . . . . 71.54 108.224 165.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.9 78.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.403 -0.817 . . . . 72.23 111.646 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.79 -57.75 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.56 0.744 . . . . 75.14 111.114 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.94 -37.86 87.15 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.632 0.975 . . . . 73.1 113.632 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.5 -37.28 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.5 0.72 . . . . 74.22 110.476 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -45.98 77.01 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.279 0.632 . . . . 74.54 110.978 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG23 HD13 ' A' ' 41' ' ' LEU . 54.6 t -60.06 -53.75 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.977 0.911 . . . . 75.21 110.936 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.474 ' HB3' HD13 ' A' ' 87' ' ' ILE . 19.5 m-85 -72.44 -17.68 61.76 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.607 -0.724 . . . . 73.14 112.381 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.41 80.6 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.957 0.408 . . . . 72.31 110.382 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.1 -25.83 61.02 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.874 -0.603 . . . . 75.52 110.898 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 mt -83.06 -23.76 33.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.049 0.54 . . . . 73.45 111.13 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.944 0 N-CA-C 110.93 -0.868 . . . . 54.31 110.93 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.474 HD13 ' HB3' ' A' ' 79' ' ' TYR . 15.4 mm . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.472 -0.566 . . . . 73.24 109.472 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -89.62 125.17 35.13 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.839 -0.8 . . . . 70.32 108.839 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.48 144.99 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.392 1.077 . . . . 73.41 109.652 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.4 m -128.69 132.53 48.03 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.487 1.115 . . . . 74.23 108.339 170.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.71 99.82 8.0 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.35 -0.981 . . . . 75.34 108.35 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.93 68.65 1.28 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.888 0.851 . . . . 64.05 109.155 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.55 -97.19 0.23 Allowed Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.177 -1.374 . . . . 71.42 113.556 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.415 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 9.1 p-10 -92.3 -8.09 46.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 55.43 110.986 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -115.33 120.08 38.44 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.924 -0.485 . . . . 63.33 109.882 -176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.21 130.99 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.38 -0.6 . . . . 73.42 109.38 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.4 m -128.38 137.47 51.89 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.278 1.031 . . . . 65.4 110.149 -171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.64 114.2 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.146 0.978 . . . . 73.42 109.798 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 57' ' ' ARG . 35.6 tt0 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 124.465 1.106 . . . . 74.23 110.095 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.095 0.474 . . . . 74.15 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.573 HG21 HD12 ' A' ' 37' ' ' LEU . 32.1 mt -107.86 105.37 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.038 -1.097 . . . . 75.43 108.038 175.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.9 120.47 29.27 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.22 0.608 . . . . 73.53 110.422 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' THR . 41.9 t -96.12 125.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 107.971 -1.122 . . . . 70.42 107.971 173.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -133.02 153.12 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.13 0.972 . . . . 72.31 109.471 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.5 t-20 -144.79 151.26 38.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.657 0.783 . . . . 74.54 109.715 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.46 108.82 8.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.058 -1.09 . . . . 74.34 108.058 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 . . . . . 0 C--O 1.24 0.595 0 N-CA-C 109.026 -0.731 . . . . 73.1 109.026 178.188 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.601 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 21.4 m-85 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 121.419 0.628 . . . . 74.3 111.627 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 90.6 m -86.04 116.85 24.51 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.329 -0.851 . . . . 74.23 109.72 -173.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -132.02 122.49 25.58 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.021 -1.103 . . . . 73.34 108.021 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -94.61 106.83 18.82 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.533 -0.914 . . . . 75.54 108.533 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 12' ' ' ILE . 26.3 m -100.73 173.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.228 -1.027 . . . . 72.24 108.228 172.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -135.17 -9.85 2.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.902 0.481 . . . . 72.51 110.734 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.652 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.2 m -117.41 142.78 46.72 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.932 0.893 . . . . 50.01 109.119 -177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.28 -33.44 75.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.84 0.856 . . . . 74.21 110.407 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -59.31 -38.58 80.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.187 0.995 . . . . 71.21 112.0 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.652 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.2 mt-10 -65.37 -28.84 69.56 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.361 -0.836 . . . . 72.13 111.91 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 12' ' ' ILE . 73.1 mt -60.46 -40.81 92.54 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.657 0.598 . . . . 74.53 111.247 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.35 -30.34 71.39 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.727 0.411 . . . . 74.34 111.218 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -57.52 3.8 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.885 0.874 . . . . 74.41 110.7 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.29 -27.75 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.591 0.756 . . . . 73.22 111.821 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.534 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.0 mm? -75.27 -37.96 60.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.146 0.578 . . . . 73.44 111.752 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -69.75 -35.3 74.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.062 0.545 . . . . 72.42 112.037 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 -40.05 55.27 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.279 -0.267 . . . . 73.02 110.279 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.47 -28.26 69.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.348 1.059 . . . . 74.31 111.378 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 78' ' ' VAL . 38.2 ttpt -48.02 -51.17 25.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.439 1.495 . . . . 71.22 112.034 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.53 -28.89 65.28 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.849 0.86 . . . . 74.45 112.559 -176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.81 -55.08 10.79 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.827 0.451 . . . . 73.41 110.379 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 56' ' ' SER . 65.5 mt -61.74 -32.13 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 124.471 1.108 . . . . 73.43 111.058 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -57.59 -51.61 68.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.729 1.212 . . . . 64.32 110.923 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 CA--C 1.544 0.727 0 CA-C-N 114.451 -1.25 . . . . 74.52 110.845 -175.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.452 -0.573 . . . . 74.45 109.452 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 48' ' ' ILE . 15.2 m -74.7 120.05 19.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.714 0.806 . . . . 75.42 110.421 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 42.0 ttm180 -92.28 115.04 27.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.329 1.052 . . . . 74.43 110.621 -171.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -102.48 143.05 32.69 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.289 0.636 . . . . 73.2 110.868 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -134.13 120.65 20.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.578 1.151 . . . . 75.12 109.13 174.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.9 mt -107.93 136.62 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 124.076 0.95 . . . . 75.34 108.909 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -62.94 117.89 7.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.256 0.55 . . . . 74.52 111.779 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.45 160.82 17.38 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.569 1.148 . . . . 74.51 108.469 168.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -116.85 -77.3 0.57 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.852 -0.796 . . . . 72.51 108.852 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.1 p -84.67 160.25 20.39 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.706 -0.85 . . . . 72.42 108.706 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.45 -19.5 62.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.343 0.657 . . . . 71.42 111.303 -177.301 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -66.62 -44.84 80.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.198 0.599 . . . . 74.03 110.276 169.845 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 44.4 mt-10 -68.03 -28.69 67.62 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.474 -0.785 . . . . 74.32 110.695 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -67.96 -33.56 74.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.241 -0.891 . . . . 72.42 111.154 175.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 42.3 mt-10 -70.17 -49.77 47.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 73.01 111.394 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.497 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 21.8 pttp -69.09 -30.59 68.93 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 116.346 -0.388 . . . . 73.22 112.043 -175.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.0 m-30 -89.01 -19.72 25.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.215 0.45 . . . . 75.42 112.215 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.96 99.92 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.951 -0.759 . . . . 75.42 108.951 166.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -58.45 -41.64 85.59 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.652 -0.704 . . . . 74.43 111.333 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.526 HG22 ' HB3' ' A' ' 37' ' ' LEU . 68.4 mt -58.74 -38.71 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.123 0.969 . . . . 72.13 111.318 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.417 HD22 ' HE2' ' A' ' 79' ' ' TYR . 24.3 mt -66.42 -55.36 16.1 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.42 -0.809 . . . . 53.13 111.512 175.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.593 HD12 HG22 ' A' ' 89' ' ' VAL . 1.6 mp -59.32 -33.64 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 C-N-CA 123.96 0.904 . . . . 75.11 112.292 -170.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 56.1 mtpt -57.9 -37.01 73.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.23 0.612 . . . . 73.54 111.462 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 41' ' ' LEU . 70.0 t -74.74 -49.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.544 1.138 . . . . 74.25 111.139 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.417 ' HE2' HD22 ' A' ' 75' ' ' LEU . 23.6 m-85 -77.12 -16.91 59.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.36 0.664 . . . . 75.5 112.221 -171.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.79 94.94 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.614 0.571 . . . . 74.25 109.946 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.66 -34.69 58.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.069 0.948 . . . . 65.24 111.508 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.4 mt -76.06 -14.74 60.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.345 0.658 . . . . 75.11 112.581 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.886 0 CA-C-N 116.343 -0.39 . . . . 71.04 112.262 176.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.537 HG23 HG13 ' A' ' 76' ' ' ILE . 33.6 mm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.745 0.307 . . . . 75.34 110.765 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -115.41 111.15 20.39 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.181 -1.044 . . . . 72.34 108.181 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.593 HG22 HD12 ' A' ' 76' ' ' ILE . 7.9 t -101.08 133.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.015 -0.735 . . . . 75.02 109.015 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 p -133.57 125.54 29.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.901 0.88 . . . . 54.15 109.222 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -97.9 102.94 14.82 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.392 0.677 . . . . 74.42 109.343 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.8 t70 -70.03 -38.3 75.82 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.542 0.737 . . . . 72.21 110.348 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.25 -55.6 0.55 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 110.695 -0.962 . . . . 61.32 110.695 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.02 -18.56 39.35 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.212 0.605 . . . . 64.43 110.394 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.4 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 6.1 p -144.34 153.97 42.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.224 1.01 . . . . 75.32 111.264 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 68' ' ' ALA . 13.4 m -106.36 125.82 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.786 0.834 . . . . 73.53 109.286 166.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.3 m -117.73 132.07 56.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.031 0.933 . . . . 75.1 110.06 -172.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.6 t -128.27 117.3 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.296 0.639 . . . . 73.45 109.684 173.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 107.99 -1.115 . . . . 74.25 107.99 171.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.635 0.731 . . . . 73.31 111.123 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 96.4 mt -106.89 121.89 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.299 1.44 . . . . 74.03 110.338 -169.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.57 126.94 39.01 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.657 0.383 . . . . 73.33 110.028 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.64 114.93 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.257 1.023 . . . . 74.12 108.686 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -113.47 140.78 47.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.244 1.018 . . . . 75.4 109.05 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.639 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 27.1 t-20 -138.18 147.84 44.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.363 0.665 . . . . 65.11 109.682 173.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -131.71 110.79 11.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.643 0.777 . . . . 72.14 110.203 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.556 HD22 ' HA ' ' A' ' 48' ' ' ILE . 90.0 m-20 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 107.593 -1.262 . . . . 65.44 107.593 167.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.639 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 97.1 m-85 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 110.237 -0.283 . . . . 74.32 110.237 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.5 m -86.27 134.85 33.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.325 0.65 . . . . 75.11 110.872 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -133.04 159.13 40.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.71 1.204 . . . . 73.34 108.854 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -124.92 112.02 16.13 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.769 -0.826 . . . . 74.42 108.769 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 33.1 m -114.46 126.02 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.968 -0.752 . . . . 74.13 108.968 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -89.74 -17.92 27.36 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.338 0.59 . . . . 74.2 109.873 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -139.02 152.48 47.65 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.987 0.915 . . . . 71.44 109.994 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.41 -22.14 66.86 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.289 1.036 . . . . 74.04 112.85 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -64.28 -37.64 88.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.058 0.543 . . . . 71.41 110.469 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 22.6 mm-40 -73.18 -38.46 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.841 0.857 . . . . 74.25 110.042 178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HA ' HG11 ' A' ' 31' ' ' VAL . 8.9 tp -55.94 -42.49 76.26 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.654 1.182 . . . . 74.51 112.4 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -62.96 -26.77 68.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.447 -0.797 . . . . 71.52 111.434 -174.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.65 -48.04 23.81 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.254 0.621 . . . . 74.55 109.94 174.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 16.1 m -67.98 -26.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-O 118.858 -0.591 . . . . 73.44 112.165 -172.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 74' ' ' ILE . 3.8 mm? -80.07 -40.05 28.44 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.46 0.573 . . . . 73.41 112.259 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -63.96 -43.97 94.19 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.648 0.592 . . . . 75.44 109.527 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.36 -40.04 70.9 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.125 -0.488 . . . . 71.44 110.705 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 35.3 tp -63.44 -29.62 70.87 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.464 0.705 . . . . 75.12 110.668 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -54.45 -39.99 67.96 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.915 0.886 . . . . 73.11 110.838 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.07 -41.63 70.45 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.662 0.785 . . . . 70.24 111.068 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -58.84 -42.33 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.325 0.65 . . . . 74.2 111.941 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.556 ' HA ' HD22 ' A' ' 18' ' ' ASN . 69.0 mt -74.46 -45.63 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.64 0.776 . . . . 73.14 110.681 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.34 -37.93 71.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.751 0.82 . . . . 74.51 111.373 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.476 0.86 0 O-C-N 123.462 0.476 . . . . 73.5 110.317 -179.195 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 120.682 0.277 . . . . 75.2 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.477 ' HB3' ' HE1' ' A' ' 79' ' ' TYR . 35.2 t -139.29 117.1 11.57 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.975 0.91 . . . . 72.31 108.718 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -114.2 108.93 17.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.498 0.719 . . . . 72.51 109.801 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m -103.38 121.13 42.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.476 0.711 . . . . 74.21 109.713 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -119.84 130.34 54.84 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 109.189 -0.671 . . . . 62.44 109.189 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.504 HG23 ' CD2' ' A' ' 71' ' ' PHE . 22.4 mt -126.65 139.88 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.156 0.982 . . . . 70.14 110.692 -171.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 47.2 m -66.55 105.55 1.54 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.915 0.886 . . . . 70.44 111.146 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.08 128.36 46.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.805 0.842 . . . . 73.54 109.825 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 29.9 mmt180 -80.08 -35.7 36.61 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.752 -0.592 . . . . 75.23 111.067 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -131.55 178.73 6.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.372 1.069 . . . . 73.54 108.913 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -74.14 -20.77 60.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.225 0.21 . . . . 74.51 110.527 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -72.0 -29.14 63.91 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.189 0.596 . . . . 74.35 109.854 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 5.5 mm-40 -75.31 -43.27 51.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.03 -0.73 . . . . 64.34 109.03 171.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.16 79.89 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.427 -0.806 . . . . 64.21 112.154 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.74 -43.25 63.17 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.504 0.321 . . . . 75.25 111.837 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 62.9 pttt -74.33 -43.29 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 119.499 -0.286 . . . . 75.52 110.517 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 39.4 m-85 -64.41 -35.91 82.45 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.489 0.493 . . . . 75.51 110.392 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 96' ' ' VAL . . . -56.51 -47.65 78.89 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.828 0.705 . . . . 75.31 110.938 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.17 98.94 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.226 0.954 . . . . 74.13 110.87 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.521 HG21 ' HG ' ' A' ' 41' ' ' LEU . 88.8 mt -60.24 -25.38 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.049 0.939 . . . . 61.21 110.93 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 58.5 mt -81.35 -42.46 20.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.047 0.539 . . . . 74.44 110.284 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.76 -35.51 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 124.861 1.265 . . . . 73.32 111.284 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -60.77 -46.2 91.42 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 64.42 110.683 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 HD11 ' A' ' 41' ' ' LEU . 61.9 t -60.72 -52.53 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.897 0.879 . . . . 75.1 110.717 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.477 ' HE1' ' HB3' ' A' ' 56' ' ' SER . 72.9 m-85 -69.68 -24.25 63.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.187 0.595 . . . . 74.12 112.345 -177.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.92 89.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.865 0.466 . . . . 74.11 110.428 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -36.34 83.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.397 -0.82 . . . . 71.34 110.716 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 85.0 mt -71.39 -23.91 61.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.595 0.758 . . . . 74.03 112.137 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.441 0 C-N-CA 121.277 -0.487 . . . . 62.51 113.902 177.025 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.129 -0.693 . . . . 73.22 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.24 123.93 33.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.53 -0.915 . . . . 60.33 108.53 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.81 141.76 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.426 0.69 . . . . 75.3 109.539 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -144.75 139.29 27.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.533 1.133 . . . . 75.45 108.422 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.8 m-90 -110.86 100.84 9.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.652 -0.87 . . . . 74.31 108.652 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.7 t70 -61.09 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.771 0.828 . . . . 75.14 110.826 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.44 -84.9 0.17 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.594 -1.002 . . . . 72.32 110.594 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.68 0.27 44.06 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.505 0.722 . . . . 75.14 110.627 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 7.0 m -140.33 143.04 35.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.081 0.952 . . . . 73.45 108.476 171.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 72' ' ' ALA . 7.6 p -111.66 145.43 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.014 -0.736 . . . . 72.34 109.014 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.2 m -130.33 132.16 45.71 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.448 0.699 . . . . 72.43 110.022 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.6 t -126.0 132.28 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.501 1.12 . . . . 74.44 108.715 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 124.455 1.102 . . . . 72.24 109.178 179.805 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 121.066 0.46 . . . . 74.41 111.247 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.458 HG23 HD21 ' A' ' 37' ' ' LEU . 76.0 mt -80.33 103.67 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 114.943 -1.026 . . . . 72.4 109.097 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' H ' ' HB ' ' A' ' 61' ' ' THR . 26.3 tp60 -89.71 120.83 31.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.069 0.948 . . . . 74.24 109.188 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.05 114.13 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 106.601 -1.629 . . . . 71.12 106.601 -174.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' A' ' 28' ' ' THR . 51.7 mt-30 -123.25 105.14 9.61 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.59 -0.522 . . . . 74.42 109.59 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.461 ' ND2' ' HH ' ' A' ' 79' ' ' TYR . 27.4 t-20 -103.98 130.41 51.63 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.394 -0.965 . . . . 75.54 108.394 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' A' ' 56' ' ' SER . 3.1 t-20 -101.14 110.06 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.929 -1.137 . . . . 74.33 107.929 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.239 0.52 0 N-CA-C 106.651 -1.611 . . . . 70.12 106.651 178.305 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.645 0.736 . . . . 72.33 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.45 HG21 ' HA ' ' A' ' 15' ' ' GLN . 5.4 p -94.9 134.95 37.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.825 -1.08 . . . . 74.41 111.189 177.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.61 156.26 49.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.656 1.182 . . . . 73.01 108.923 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.5 m -129.27 109.38 11.07 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.53 -0.915 . . . . 72.23 108.53 172.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 14.9 m -113.78 146.94 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.383 0.673 . . . . 74.05 109.807 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 t -101.68 -19.38 15.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.111 0.565 . . . . 72.32 110.666 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.526 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.0 m -118.42 143.27 46.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.881 0.873 . . . . 72.13 109.203 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.06 -27.74 67.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.677 0.791 . . . . 70.42 112.215 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -64.97 -41.59 95.3 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.663 0.385 . . . . 75.14 110.919 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.3 mt-10 -63.13 -33.26 75.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.078 0.551 . . . . 64.34 110.55 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 HD11 HD12 ' A' ' 60' ' ' ILE . 55.0 tp -60.8 -41.33 95.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.545 0.738 . . . . 73.42 110.809 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -70.6 -32.18 69.44 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.661 -0.699 . . . . 75.15 111.124 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -70.87 -43.03 69.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.422 0.689 . . . . 72.42 111.178 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.9 m -74.3 -26.6 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 119.67 -0.205 . . . . 75.12 111.084 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mm? -74.66 -34.75 62.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.467 0.707 . . . . 74.45 111.037 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 18.6 t30 -55.68 -51.35 67.58 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.27 1.028 . . . . 73.1 110.578 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.16 -33.47 59.37 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.014 0.526 . . . . 74.52 111.612 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 47' ' ' TYR . 9.5 tt -58.49 -33.75 70.14 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.467 1.107 . . . . 75.51 111.38 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.5 ttpt -54.58 -47.09 73.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.317 1.047 . . . . 75.11 112.103 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.21 -34.73 79.05 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.958 -1.019 . . . . 72.23 110.957 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.409 ' HD2' ' HA ' ' A' ' 44' ' ' LEU . 26.2 m-85 -73.09 -37.19 66.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.3 -0.864 . . . . 74.22 111.996 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.3 mt -70.05 -43.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.602 -0.518 . . . . 73.41 109.602 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -65.8 -21.74 66.51 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.019 0.927 . . . . 74.23 111.77 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HB3' ' HZ2' ' A' ' 50' ' ' LYS . 6.6 ttpm? . . . . . 0 N--CA 1.48 1.041 0 C-N-CA 124.277 1.031 . . . . 75.12 111.788 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 109.83 -0.433 . . . . 74.45 109.83 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 17' ' ' ASN . 59.0 p -139.83 111.96 7.58 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.799 0.84 . . . . 73.55 109.578 176.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -99.34 109.36 21.99 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.608 -0.516 . . . . 74.42 109.608 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -112.54 132.82 54.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.719 0.408 . . . . 75.32 110.218 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 4.8 t -134.82 119.99 18.81 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.969 -1.123 . . . . 72.51 107.969 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.474 HD12 HD11 ' A' ' 37' ' ' LEU . 62.6 mt -115.11 120.22 64.0 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 C-N-CA 124.414 1.085 . . . . 75.31 109.353 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.455 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 33.0 m -65.36 103.42 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 121.703 0.763 . . . . 75.2 110.133 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.73 127.5 53.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.194 -1.366 . . . . 54.31 107.462 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.03 -21.22 65.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.855 0.687 . . . . 74.22 112.855 -170.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -138.01 167.78 21.08 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.53 0.732 . . . . 73.33 109.921 173.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.83 -33.09 74.9 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.719 0.807 . . . . 73.01 111.011 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -68.69 -24.04 64.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.374 0.607 . . . . 74.34 110.237 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 50.9 mt-10 -83.97 -33.68 24.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 64.45 110.876 172.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.404 ' HB3' ' HD1' ' A' ' 91' ' ' TRP . . . -67.24 -36.15 81.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.909 -0.587 . . . . 75.25 111.227 -178.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.62 -38.31 73.91 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.405 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -74.4 -30.31 61.89 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.904 -0.497 . . . . 75.12 111.165 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -83.69 -16.02 46.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.818 0.447 . . . . 75.21 111.807 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.21 82.26 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.541 -0.541 . . . . 61.55 109.541 166.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.37 78.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.136 -0.938 . . . . 71.01 111.735 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.479 HG23 ' HG ' ' A' ' 41' ' ' LEU . 50.1 mt -57.5 -38.06 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.453 0.701 . . . . 75.32 111.003 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.0 mt -75.43 -43.85 47.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.5 -0.318 . . . . 71.21 111.485 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.471 HG12 HG21 ' A' ' 87' ' ' ILE . 60.3 mt -66.11 -40.11 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.203 0.601 . . . . 65.45 110.915 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -64.55 -35.37 80.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.412 0.685 . . . . 73.3 111.677 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 41' ' ' LEU . 71.1 t -80.69 -49.89 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.479 0.711 . . . . 60.51 111.462 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.461 ' HH ' ' ND2' ' A' ' 16' ' ' ASN . 1.5 m-85 -75.95 -33.17 59.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.04 0.936 . . . . 74.34 112.385 -168.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -21.5 65.96 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.031 0.207 . . . . 71.32 111.507 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.23 -37.03 84.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.585 0.754 . . . . 74.5 110.747 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.37 -22.79 47.38 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.172 -0.922 . . . . 74.31 110.503 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.608 0 CA-C-N 115.387 -0.824 . . . . 74.51 111.705 179.431 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.471 HG21 HG12 ' A' ' 76' ' ' ILE . 36.9 mm . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 108.861 -0.792 . . . . 75.0 108.861 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.73 106.53 18.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.154 -1.054 . . . . 73.23 108.154 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.87 128.67 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.523 0.729 . . . . 72.44 109.623 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -137.46 155.68 49.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.69 1.196 . . . . 74.51 107.965 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.404 ' HD1' ' HB3' ' A' ' 68' ' ' ALA . 8.5 m-90 -125.94 106.49 9.67 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.31 -0.626 . . . . 73.43 109.31 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -110.86 91.02 3.5 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.097 0.959 . . . . 72.22 109.675 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.28 49.28 9.59 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 116.011 -0.541 . . . . 75.34 113.258 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 65.57 2.66 2.12 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.087 1.355 . . . . 73.45 113.171 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.2 m -98.9 136.82 38.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.405 1.082 . . . . 63.43 108.307 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' SER . 5.0 p -90.97 112.32 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.428 0.632 . . . . 73.12 110.352 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -107.31 134.83 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.466 1.106 . . . . 75.11 109.44 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.18 132.88 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.563 1.145 . . . . 74.35 107.977 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 123.519 0.728 . . . . 73.41 109.755 175.323 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.489 -0.56 . . . . 74.32 109.489 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 14.6 mt -78.65 104.16 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 114.874 -1.057 . . . . 75.42 110.298 -170.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -93.28 112.46 24.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.095 -0.706 . . . . 74.13 109.095 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' THR . 43.5 t -91.59 105.62 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.979 -1.489 . . . . 72.13 106.979 171.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.88 106.02 16.33 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.634 -0.876 . . . . 73.34 108.634 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.594 HD22 ' HB3' ' A' ' 56' ' ' SER . 25.7 t-20 -105.49 112.73 25.94 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.491 -0.929 . . . . 74.14 108.491 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -103.48 111.35 23.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.381 -1.34 . . . . 72.43 107.381 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 123.493 0.717 . . . . 74.42 109.606 -175.237 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.456 -0.572 . . . . 73.04 109.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 61.9 m -120.16 130.2 54.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.15 0.58 . . . . 45.11 110.315 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -124.02 146.89 48.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.51 1.124 . . . . 71.5 108.267 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.1 m -132.21 116.12 16.55 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.435 0.562 . . . . 75.33 109.884 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.54 133.34 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.287 1.035 . . . . 73.32 109.056 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -87.24 -6.03 58.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.01 0.524 . . . . 64.54 110.988 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.51 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 m -128.48 143.35 50.97 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.392 0.677 . . . . 74.31 110.547 -175.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.42 -45.46 88.4 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.232 1.413 . . . . 71.31 112.427 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -65.71 -30.78 71.51 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.195 0.998 . . . . 54.12 112.927 -173.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 17.1 mm-40 -69.22 -37.42 78.03 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.906 0.883 . . . . 75.32 111.113 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -57.45 -39.14 75.66 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.502 -1.226 . . . . 74.4 112.614 -177.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -65.49 -18.9 65.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.851 -0.613 . . . . 71.23 111.79 -171.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.81 -42.95 18.97 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.611 0.764 . . . . 74.02 110.421 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.1 m -65.95 -22.52 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 122.835 0.454 . . . . 72.41 111.444 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' A' ' 78' ' ' VAL . 3.8 mm? -71.51 -41.6 69.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.001 0.92 . . . . 75.32 111.405 175.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.32 -37.46 87.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.22 0.608 . . . . 72.53 110.056 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.7 -50.1 68.29 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.505 -0.77 . . . . 72.31 110.136 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.72 -39.62 74.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.7 1.2 . . . . 74.44 111.514 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -55.93 -54.13 48.5 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.56 1.144 . . . . 74.43 111.57 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.21 -39.03 82.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.293 0.996 . . . . 72.11 110.883 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -66.54 -38.56 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.448 0.699 . . . . 70.23 111.142 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.97 -47.48 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.803 0.841 . . . . 73.02 110.221 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.62 -26.6 65.43 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.094 0.558 . . . . 70.43 111.778 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 123.824 0.85 . . . . 75.42 111.143 178.645 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.786 0.327 . . . . 73.32 110.695 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.594 ' HB3' HD22 ' A' ' 16' ' ' ASN . 35.6 m -120.39 119.17 32.28 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.969 0.908 . . . . 65.41 110.625 -174.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -102.51 109.6 21.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.519 0.728 . . . . 75.52 110.228 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 m -103.86 129.81 51.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.951 0.5 . . . . 73.51 109.841 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -127.3 119.1 25.52 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.433 -1.321 . . . . 63.41 107.433 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' A' ' 71' ' ' PHE . 37.0 mt -113.32 132.52 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.731 0.812 . . . . 74.12 110.113 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.468 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.0 m -54.7 119.85 5.91 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.359 1.064 . . . . 73.34 112.422 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.02 146.95 52.56 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.369 -1.345 . . . . 64.11 107.369 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -100.21 -27.0 13.74 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.549 -0.537 . . . . 74.31 109.549 173.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.0 p -130.58 160.52 33.93 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 124.745 1.218 . . . . 63.24 109.079 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 13.8 ptmm? -73.32 -23.2 60.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.627 0.371 . . . . 74.23 111.86 -174.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.63 -34.88 72.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.833 0.453 . . . . 72.43 111.209 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.97 93.18 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.5 -0.556 . . . . 64.14 109.5 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -63.11 -28.13 69.86 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.117 -0.947 . . . . 74.13 111.78 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 58.4 mm-40 -70.28 -53.13 18.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.835 0.454 . . . . 72.43 111.859 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' NZ ' ' HE1' ' A' ' 71' ' ' PHE . 20.7 pttp -69.69 -32.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.429 0.529 . . . . 74.02 112.429 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 60' ' ' ILE . 36.3 m-85 -76.34 -28.48 56.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.484 0.314 . . . . 73.12 111.092 174.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 96' ' ' VAL . . . -66.32 -41.27 89.91 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 109.837 -0.431 . . . . 73.24 109.837 171.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.62 94.85 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.132 0.573 . . . . 74.44 110.483 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.493 HG22 ' HG ' ' A' ' 41' ' ' LEU . 96.5 mt -62.48 -42.67 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.077 0.951 . . . . 74.43 110.561 174.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 HD13 ' HB ' ' A' ' 98' ' ' VAL . 26.8 mt -63.06 -57.71 9.73 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.88 0.872 . . . . 72.12 111.588 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.7 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -51.48 -36.74 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.177 1.391 . . . . 65.52 111.703 -176.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.29 -48.64 79.01 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.477 0.711 . . . . 75.21 112.094 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 41' ' ' LEU . 58.4 t -64.48 -51.14 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.408 1.083 . . . . 62.32 110.441 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.463 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 5.3 m-85 -72.91 -16.56 61.56 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.643 -1.617 . . . . 71.45 111.788 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.58 75.8 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.748 0.819 . . . . 71.43 110.896 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.73 -27.25 64.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.61 0.764 . . . . 70.54 110.671 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.8 mt -92.67 -26.72 17.68 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.741 0.816 . . . . 74.41 111.379 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.191 0 CA-C-O 119.813 -0.437 . . . . 65.51 114.024 -170.029 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.7 ' HB ' HG13 ' A' ' 76' ' ' ILE . 48.5 mm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.045 -0.354 . . . . 74.11 110.045 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -88.08 126.16 34.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.936 0.894 . . . . 70.12 110.161 -167.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.0 p -122.2 137.57 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 124.396 1.079 . . . . 74.1 109.684 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 m -142.2 152.64 43.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.22 1.008 . . . . 74.14 108.529 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -127.81 128.1 44.68 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.051 0.54 . . . . 75.53 109.638 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.17 142.71 13.3 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.666 0.787 . . . . 74.25 109.644 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.37 33.75 88.08 Favored Glycine 0 C--N 1.345 1.028 0 O-C-N 123.458 0.474 . . . . 62.1 112.731 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 69.36 2.17 3.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 125.298 1.439 . . . . 73.35 111.614 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.6 m -116.64 142.44 46.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.535 1.134 . . . . 60.32 109.705 -165.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.549 HG22 ' HB1' ' A' ' 72' ' ' ALA . 3.4 p -92.6 114.22 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.281 0.562 . . . . 72.3 110.634 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -108.2 104.75 14.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.108 0.963 . . . . 75.1 110.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 75' ' ' LEU . 38.7 t -99.8 123.03 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.16 0.984 . . . . 73.11 109.447 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.7 -0.852 . . . . 64.4 108.7 -179.026 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.269 0.557 . . . . 74.31 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HB ' HG21 ' A' ' 31' ' ' VAL . 37.7 mt -97.62 101.42 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 108.276 -1.009 . . . . 73.4 108.276 174.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -101.04 117.31 34.77 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.339 0.655 . . . . 72.43 109.429 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 60' ' ' ILE . 67.7 t -92.94 106.82 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.917 1.287 . . . . 74.45 108.536 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' HA ' HG22 ' A' ' 28' ' ' THR . 96.4 mt-30 -99.0 106.02 18.23 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.855 -0.795 . . . . 71.12 108.855 174.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.63 143.05 36.64 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.886 -0.783 . . . . 73.44 108.886 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -138.68 139.64 38.52 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.806 -1.183 . . . . 65.24 107.806 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 123.603 0.761 . . . . 65.01 109.731 -176.38 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.189 0.518 . . . . 63.31 110.568 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 15' ' ' GLN . 98.9 m -86.11 119.01 25.93 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.059 -0.519 . . . . 74.4 109.994 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.09 161.53 27.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.735 1.214 . . . . 65.1 109.566 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -131.16 119.4 21.83 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.364 -0.606 . . . . 75.42 109.364 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 27.1 m -108.89 150.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.172 0.989 . . . . 75.51 109.073 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 t -94.86 -11.77 28.17 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.355 0.502 . . . . 71.21 112.355 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.59 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 37.6 m -145.34 155.21 43.05 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.236 0.614 . . . . 75.14 110.805 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 40.6 mt-10 -59.28 -37.79 78.54 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.798 1.239 . . . . 74.41 112.034 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -56.33 -48.63 76.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.686 0.794 . . . . 73.3 110.598 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.59 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 8.3 mm-40 -67.4 -25.54 65.99 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.217 -0.901 . . . . 74.52 110.909 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' HA ' HG12 ' A' ' 40' ' ' VAL . 39.1 tp -70.15 -41.89 73.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.419 0.688 . . . . 63.02 111.023 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -63.51 -32.75 74.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.763 -0.653 . . . . 71.53 110.566 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.42 -48.64 39.67 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.594 -0.73 . . . . 75.41 110.697 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.3 p -68.45 -35.08 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 119.531 -0.271 . . . . 73.1 111.319 -173.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 78' ' ' VAL . 3.6 mm? -72.92 -30.97 64.31 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.909 0.484 . . . . 74.31 111.547 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.98 -48.83 80.0 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.419 0.688 . . . . 71.44 110.171 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.14 -30.01 54.89 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.127 -0.488 . . . . 75.1 111.104 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.0 -33.96 75.31 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.625 0.77 . . . . 75.54 111.141 -175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.97 -37.33 61.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.377 1.071 . . . . 74.43 111.755 174.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.74 -44.33 77.81 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.124 0.97 . . . . 75.21 110.76 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -67.39 -41.16 85.45 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.444 0.698 . . . . 73.21 111.89 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.41 -21.94 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.017 0.527 . . . . 72.33 110.184 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -70.59 -41.89 71.73 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.321 0.582 . . . . 72.43 109.857 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 CA--C 1.544 0.736 0 CA-C-N 114.636 -1.166 . . . . 75.23 110.711 -179.657 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.392 -0.966 . . . . 72.21 108.392 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -137.71 116.26 12.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.208 0.603 . . . . 62.04 109.952 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.28 142.75 27.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.704 0.801 . . . . 74.44 109.895 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.9 m -140.03 120.47 14.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.589 0.756 . . . . 73.35 109.052 168.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -116.15 130.69 56.92 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.056 0.942 . . . . 74.54 110.057 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.423 HG12 HG22 ' A' ' 14' ' ' VAL . 21.6 mt -114.06 132.5 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.248 0.619 . . . . 70.43 109.776 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 m -64.69 106.64 1.23 Allowed 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.856 0.863 . . . . 72.34 110.834 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . . . -102.3 86.7 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.662 -1.154 . . . . 74.23 109.818 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' NH1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -63.68 -25.27 68.14 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.056 -0.52 . . . . 73.0 110.782 -175.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 p -128.41 162.18 27.74 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 124.471 1.108 . . . . 73.13 108.658 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -62.04 -23.25 66.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.21 0.604 . . . . 74.22 110.754 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -50.92 71.54 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.135 0.974 . . . . 75.2 109.448 176.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 12.2 mm-40 -60.07 -42.93 95.59 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.393 1.058 . . . . 74.43 109.938 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.521 ' HB2' ' HD1' ' A' ' 91' ' ' TRP . . . -56.31 -44.59 80.07 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.793 0.837 . . . . 74.13 112.456 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -72.94 -53.42 11.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.153 0.581 . . . . 75.15 112.109 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 56.4 pttt -72.18 -30.4 64.94 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.381 -0.372 . . . . 73.33 111.994 -172.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.6 m-30 -86.13 -17.88 33.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.494 0.318 . . . . 73.31 111.837 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' HB3' HG22 ' A' ' 89' ' ' VAL . . . -60.47 -44.16 96.19 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.08 -0.711 . . . . 73.4 109.08 167.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.52 70.44 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.484 -0.78 . . . . 71.44 112.004 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.46 -50.34 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.408 0.683 . . . . 75.44 110.534 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.41 -39.15 91.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.616 0.767 . . . . 75.35 112.302 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.5 mp -63.47 -38.67 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.494 0.717 . . . . 74.1 109.934 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -65.28 -46.67 79.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.556 0.742 . . . . 72.42 111.099 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.491 HG22 HD12 ' A' ' 41' ' ' LEU . 54.7 t -65.87 -48.86 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.894 0.878 . . . . 71.15 110.973 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -70.68 -21.25 62.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.524 0.564 . . . . 73.35 112.524 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -33.86 72.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.848 0.459 . . . . 73.34 110.503 176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.24 -11.37 60.26 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 63.51 111.636 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.94 -25.91 13.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.26 1.024 . . . . 64.5 110.266 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.082 0 N-CA-C 110.635 -0.986 . . . . 72.43 110.635 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.581 ' HB ' HG13 ' A' ' 76' ' ' ILE . 38.9 mm . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.363 -0.236 . . . . 71.23 110.363 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -87.38 132.7 33.88 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.995 0.518 . . . . 73.42 110.039 -175.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.575 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.2 p -133.31 143.33 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.159 0.984 . . . . 73.25 109.416 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -147.02 148.06 31.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.683 1.193 . . . . 64.0 108.231 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.521 ' HD1' ' HB2' ' A' ' 68' ' ' ALA . 30.5 m-90 -119.48 117.18 27.75 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.952 0.501 . . . . 74.54 109.862 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.13 -47.18 74.96 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.435 0.635 . . . . 74.11 109.974 172.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.21 -70.39 0.31 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.691 -1.364 . . . . 72.13 109.691 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.78 2.67 55.85 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.079 0.552 . . . . 63.3 110.951 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 m -144.44 148.78 35.02 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 109.248 -0.649 . . . . 75.15 109.248 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.6 p -113.48 126.62 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.994 0.917 . . . . 74.14 109.431 172.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.6 m -108.26 137.02 46.95 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 74.11 110.136 176.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.62 114.19 24.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.783 -1.192 . . . . 73.42 107.783 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 123.24 0.616 . . . . 74.35 109.773 -173.289 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 121.511 0.672 . . . . 71.3 111.322 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 ' HB ' HG22 ' A' ' 31' ' ' VAL . 46.2 mt -101.94 102.97 14.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.092 -1.077 . . . . 74.44 108.092 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -87.69 119.43 28.0 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.048 -0.723 . . . . 75.12 109.048 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.49 123.68 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.122 0.969 . . . . 74.54 109.479 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -127.38 120.97 29.7 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.242 -1.022 . . . . 73.42 108.242 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.591 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.6 t-20 -103.58 123.5 47.07 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.652 -0.87 . . . . 73.51 108.652 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.619 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -117.86 109.66 16.82 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 108.653 -0.869 . . . . 73.52 108.653 173.725 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 105.485 -2.042 . . . . 75.24 105.485 171.015 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.591 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.4 m-85 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.514 0.673 . . . . 71.33 111.468 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -102.43 129.59 48.96 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.857 -1.065 . . . . 54.32 110.273 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -128.24 147.13 50.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.472 1.109 . . . . 72.22 108.465 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.1 m -129.75 104.62 7.52 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.65 -1.241 . . . . 73.02 107.65 172.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 12' ' ' ILE . 35.9 m -113.64 128.92 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.645 0.778 . . . . 74.33 109.493 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -93.89 -12.14 29.53 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.208 0.603 . . . . 61.21 110.484 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.668 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 90.5 m -128.0 138.68 52.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.782 0.833 . . . . 75.21 109.429 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 44.7 mt-10 -65.62 -29.94 70.58 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.203 1.001 . . . . 75.23 111.755 -176.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 m -60.08 -40.13 88.5 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.32 0.648 . . . . 63.53 110.98 175.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.668 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 3.7 mm-40 -68.91 -33.32 73.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.348 0.659 . . . . 75.43 110.063 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HA ' HG23 ' A' ' 40' ' ' VAL . 51.5 tp -63.05 -40.01 96.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.721 0.808 . . . . 71.31 110.948 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.22 -36.42 84.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.497 0.719 . . . . 71.24 110.876 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -65.73 -53.06 45.88 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.607 0.763 . . . . 74.24 110.582 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.406 HG23 ' HA ' ' A' ' 37' ' ' LEU . 21.2 m -67.51 -27.15 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 123.818 0.698 . . . . 63.24 111.758 -172.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HB3' HG22 ' A' ' 78' ' ' VAL . 2.4 mm? -74.78 -36.77 62.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.512 0.725 . . . . 64.12 111.317 176.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -70.1 -38.44 75.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.076 0.55 . . . . 75.54 110.735 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.49 -36.61 44.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.917 0.487 . . . . 75.44 110.632 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 16' ' ' ASN . 42.7 tp -59.91 -36.34 76.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.874 0.87 . . . . 70.34 110.868 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB2' HG12 ' A' ' 78' ' ' VAL . 37.5 ttpt -45.05 -49.81 11.26 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.808 1.643 . . . . 75.32 111.815 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.29 -38.42 89.3 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.951 0.782 . . . . 73.11 111.543 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.91 -39.66 55.82 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.999 0.92 . . . . 73.01 112.033 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.47 -41.79 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.519 0.676 . . . . 73.35 109.238 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HB2' HD22 ' A' ' 82' ' ' LEU . 70.6 tttt -67.82 -39.7 83.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.209 -1.36 . . . . 75.34 110.714 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 N--CA 1.474 0.745 0 CA-C-N 115.005 -0.998 . . . . 75.21 111.199 -174.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HD3' ' H ' ' A' ' 56' ' ' SER . 5.7 tpp180 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.109 -0.7 . . . . 75.22 109.109 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 99' ' ' GLU . 24.6 p -114.91 118.9 34.79 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.679 1.192 . . . . 73.51 108.868 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.619 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 30.8 ttm180 -150.3 110.31 4.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.593 -0.521 . . . . 74.42 109.593 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' THR . 96.0 m -135.15 121.37 20.18 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 109.193 -0.669 . . . . 71.31 109.193 173.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m -95.21 120.89 36.21 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.868 1.355 . . . . 64.25 109.172 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.39 126.15 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 123.544 0.737 . . . . 73.43 109.136 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 53.0 m -67.82 114.68 6.6 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 120.897 0.379 . . . . 74.02 110.436 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.16 107.63 18.34 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.268 1.027 . . . . 63.01 108.347 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.21 -27.14 68.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.972 0.509 . . . . 75.34 111.062 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -132.55 163.48 28.75 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.205 1.002 . . . . 73.5 109.376 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.1 ptpp? -67.3 -21.18 65.69 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.671 0.388 . . . . 74.0 110.958 174.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -65.89 -39.93 91.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.106 0.962 . . . . 74.31 109.785 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.517 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.8 mt-10 -68.97 -37.36 78.74 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.51 -1.223 . . . . 62.11 110.874 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.07 71.07 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.788 0.68 . . . . 74.15 111.997 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 35.2 mm-40 -79.36 -49.84 11.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.947 0.499 . . . . 64.22 111.973 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -69.23 -29.1 66.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.449 -0.341 . . . . 74.42 110.861 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.1 m-30 -88.92 -19.38 25.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.943 0.497 . . . . 75.15 111.791 177.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.47 -45.97 91.78 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.037 -1.097 . . . . 63.51 108.037 167.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -57.44 -44.0 84.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 124.279 0.987 . . . . 74.32 111.2 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.46 -52.18 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.347 0.659 . . . . 74.22 110.781 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.9 -49.93 75.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.929 0.891 . . . . 72.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.507 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -54.78 -41.26 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.85 0.86 . . . . 74.4 110.854 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.5 mtpt -68.4 -42.23 79.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.455 0.702 . . . . 73.43 111.895 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 41' ' ' LEU . 72.5 t -65.75 -45.93 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.281 0.632 . . . . 75.34 110.651 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CD1' HD12 ' A' ' 82' ' ' LEU . 55.2 m-85 -73.39 -18.23 61.18 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.733 -0.667 . . . . 71.35 112.138 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.25 77.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.077 0.551 . . . . 74.0 110.756 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -78.48 -19.03 53.95 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.495 0.718 . . . . 65.2 111.142 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' A' ' 49' ' ' LYS . 76.8 mt -91.31 -23.09 20.23 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.756 0.822 . . . . 73.4 111.414 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.65 0 O-C-N 123.305 0.378 . . . . 73.3 112.314 177.589 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.507 ' HB ' HG13 ' A' ' 76' ' ' ILE . 11.9 mm . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 110.495 -0.187 . . . . 74.25 110.495 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -89.15 145.34 25.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.931 0.492 . . . . 75.22 109.683 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.2 p -132.6 121.88 46.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.631 0.772 . . . . 72.42 109.014 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -130.44 132.44 45.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.966 0.906 . . . . 71.44 109.351 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -101.21 113.11 25.85 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.188 -1.041 . . . . 73.22 108.188 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.48 -36.76 60.56 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.885 0.874 . . . . 64.12 110.749 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.28 101.98 2.37 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 108.838 -1.705 . . . . 74.44 108.838 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 72.45 2.67 4.43 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.574 1.55 . . . . 63.55 112.171 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -145.36 148.93 33.92 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.414 1.086 . . . . 72.2 108.225 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.9 109.24 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 108.663 -0.866 . . . . 63.11 108.663 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 58' ' ' THR . 96.9 m -100.77 126.09 47.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.341 0.656 . . . . 73.31 110.255 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 57' ' ' ARG . 14.3 t -92.17 121.08 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 107.143 -1.429 . . . . 74.22 107.143 165.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.506 ' HA ' ' O ' ' A' ' 56' ' ' SER . 3.6 tm-20 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.224 -0.658 . . . . 65.13 109.224 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.907 0.706 . . . . 72.25 112.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mt -95.72 105.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.279 -0.873 . . . . 74.33 109.218 -175.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -86.34 137.93 32.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.418 -0.586 . . . . 73.34 109.418 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 28' ' ' THR . 63.5 t -118.35 107.23 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.684 -1.228 . . . . 74.23 107.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' HG2' HG23 ' A' ' 28' ' ' THR . 45.0 mt-30 -106.36 107.32 18.27 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.914 -0.402 . . . . 75.32 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.5 t-20 -105.4 139.28 40.26 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.458 -0.571 . . . . 63.31 109.458 173.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -114.85 108.76 17.17 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.071 -1.455 . . . . 72.51 107.071 172.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.1 t30 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.876 -0.786 . . . . 75.54 108.876 179.058 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 121.02 0.438 . . . . 74.42 110.432 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 87.7 m -93.05 118.75 31.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.948 0.899 . . . . 72.33 109.449 170.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.2 130.12 38.67 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.159 0.984 . . . . 74.42 108.738 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.8 m -97.43 109.56 22.29 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.87 -0.789 . . . . 52.4 108.87 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.8 m -101.01 133.99 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.793 0.837 . . . . 75.44 109.468 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.8 t -88.35 -14.0 39.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.438 0.532 . . . . 75.12 112.438 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.6 m -142.63 155.76 44.99 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.47 0.708 . . . . 72.32 109.792 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.3 -30.57 71.68 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.69 1.196 . . . . 70.12 112.047 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 p -59.6 -49.53 77.4 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.781 0.675 . . . . 74.35 109.524 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.2 mm-40 -58.51 -32.94 69.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.324 1.05 . . . . 74.45 111.497 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HA ' HG13 ' A' ' 40' ' ' VAL . 5.9 tt -74.49 -40.99 61.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.015 0.526 . . . . 74.41 110.929 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -58.19 -42.23 85.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.343 0.657 . . . . 74.41 110.374 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.95 -52.97 57.26 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.019 -0.991 . . . . 74.44 110.856 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.46 HG13 ' HA ' ' A' ' 37' ' ' LEU . 4.8 p -68.73 -30.52 47.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 123.435 0.459 . . . . 74.0 111.686 -172.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 78' ' ' VAL . 1.6 mm? -73.28 -39.72 65.15 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.039 0.535 . . . . 72.25 111.37 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.63 -35.57 80.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.563 -0.744 . . . . 73.43 110.966 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.54 -39.61 18.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.469 0.308 . . . . 73.01 111.789 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.2 -29.43 70.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.409 0.684 . . . . 72.1 110.349 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -43.28 -45.58 5.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.67 1.588 . . . . 64.12 111.727 170.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.92 -45.3 64.48 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.619 -1.173 . . . . 70.44 111.574 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.83 -39.89 93.4 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.568 0.747 . . . . 75.21 111.542 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 HG23 ' HG ' ' A' ' 56' ' ' SER . 98.7 mt -66.09 -48.63 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.915 0.886 . . . . 75.45 110.145 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HB2' HD22 ' A' ' 82' ' ' LEU . 58.9 tttp -75.26 -22.51 57.76 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.35 0.5 . . . . 71.43 112.35 -177.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.98 0.895 . . . . 65.24 109.805 175.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.925 -0.398 . . . . 73.2 109.925 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.42 ' HG ' HG23 ' A' ' 48' ' ' ILE . 33.9 m -100.98 149.13 24.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.593 0.757 . . . . 70.45 111.474 -176.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -105.39 150.21 25.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.392 1.077 . . . . 75.02 109.725 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.3 m -140.18 131.42 26.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.883 0.473 . . . . 74.51 110.042 165.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 t -117.25 119.89 36.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.785 -1.191 . . . . 62.53 107.785 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.45 HD11 HD11 ' A' ' 37' ' ' LEU . 41.8 mt -111.68 140.68 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.737 0.815 . . . . 72.32 109.713 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -58.06 105.89 0.32 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.829 1.251 . . . . 74.15 112.225 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.67 100.93 12.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.174 0.99 . . . . 65.14 110.016 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HB2' ' HG3' ' A' ' 67' ' ' GLU . 39.5 mmt180 -70.45 -36.78 74.14 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.428 -0.806 . . . . 71.11 110.535 177.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.5 p -135.3 176.92 8.23 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.625 1.17 . . . . 72.42 109.085 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.475 0.484 . . . . 74.45 110.202 169.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.89 -45.19 95.58 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.808 0.843 . . . . 73.04 111.022 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 28.8 mm-40 -62.34 -43.17 99.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.369 0.604 . . . . 74.54 110.337 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' HB2' ' HD1' ' A' ' 91' ' ' TRP . . . -60.27 -48.96 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.918 -1.492 . . . . 71.32 112.188 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.47 -31.24 33.07 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.019 0.527 . . . . 71.22 111.933 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 58.9 pttt -73.18 -36.07 66.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.655 0.264 . . . . 74.05 110.354 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 74' ' ' ILE . 19.3 m-30 -88.99 -18.34 27.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.99 0.516 . . . . 74.53 111.783 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -62.88 -40.98 99.16 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 108.66 -0.867 . . . . 74.3 108.66 166.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.93 88.09 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.636 -0.711 . . . . 52.53 111.205 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 71' ' ' PHE . 58.0 mt -62.87 -62.83 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.267 0.627 . . . . 73.11 110.018 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.8 mt -53.57 -40.4 65.57 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.581 1.152 . . . . 74.5 113.131 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.737 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -62.04 -48.15 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.168 0.587 . . . . 73.34 110.413 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -71.04 -35.48 71.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.263 0.625 . . . . 74.53 112.146 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 41' ' ' LEU . 76.7 t -63.92 -49.84 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.661 0.784 . . . . 74.23 109.885 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -82.79 -17.95 42.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.213 -0.903 . . . . 74.42 111.952 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.16 80.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.609 0.764 . . . . 74.11 110.631 172.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.08 -33.09 65.41 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.82 -1.082 . . . . 73.53 110.37 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 49' ' ' LYS . 31.5 mt -73.59 -26.81 60.98 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.895 -0.593 . . . . 74.21 112.122 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.642 0 N-CA-C 111.313 -0.715 . . . . 65.12 111.313 -178.338 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.941 -0.392 . . . . 73.11 109.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -85.97 112.28 21.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.117 0.567 . . . . 73.22 109.644 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.737 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.3 p -107.53 130.46 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.317 0.647 . . . . 75.44 110.074 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -133.83 141.53 47.46 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.001 -1.111 . . . . 72.14 108.001 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.547 ' HD1' ' HB2' ' A' ' 68' ' ' ALA . 24.4 m-90 -114.87 114.08 25.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.362 -0.977 . . . . 74.43 108.362 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.93 -53.99 26.51 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.928 0.891 . . . . 75.32 110.47 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.34 -54.66 0.67 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.71 -1.356 . . . . 42.3 109.71 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.21 -16.57 34.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.35 0.66 . . . . 74.41 110.402 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 p -145.06 151.87 39.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.924 0.89 . . . . 70.45 111.518 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.474 HG23 ' HB1' ' A' ' 72' ' ' ALA . 3.7 p -97.66 113.77 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 N-CA-C 108.971 -0.752 . . . . 55.51 108.971 165.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 m -103.77 104.68 14.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.771 0.828 . . . . 74.44 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 72.7 t -112.18 125.63 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.697 0.799 . . . . 71.24 109.224 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.244 0.78 0 C-N-CA 124.558 1.143 . . . . 74.44 108.477 -178.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.868 -0.419 . . . . 75.12 109.868 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -83.72 95.61 8.46 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.563 -0.532 . . . . 74.14 109.563 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -76.36 130.16 37.66 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.305 -0.628 . . . . 73.2 109.305 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -160.99 159.62 29.67 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.487 1.115 . . . . 73.0 108.35 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -112.67 106.28 14.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.27 0.628 . . . . 73.41 109.366 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -127.52 130.83 49.85 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 124.258 1.023 . . . . 75.52 108.315 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.96 82.72 0.66 Allowed 'General case' 0 CA--C 1.551 1.002 0 O-C-N 123.745 0.653 . . . . 74.2 109.961 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -176.51 -19.18 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.103 1.361 . . . . 74.15 109.424 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.3 m -77.79 -147.14 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.023 0.929 . . . . 71.31 110.218 177.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.96 60.2 4.68 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 118.082 0.401 . . . . 74.24 112.602 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 121.01 19.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.853 -0.795 . . . . 71.03 108.853 176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -102.33 103.93 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.076 0.951 . . . . 74.44 108.854 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.44 HE21 ' NE2' ' A' ' 15' ' ' GLN . 53.6 tt0 -89.46 106.04 18.19 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.49 0.716 . . . . 73.01 109.603 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.8 t -92.69 122.28 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.36 1.064 . . . . 74.01 108.46 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.44 ' NE2' HE21 ' A' ' 13' ' ' GLN . 93.1 mt-30 -128.04 122.09 31.32 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.321 0.649 . . . . 65.33 110.092 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 26.8 t-20 -114.25 129.35 56.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.629 0.772 . . . . 73.44 109.254 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -121.6 126.92 50.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.457 -1.312 . . . . 52.43 107.457 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -101.88 139.59 37.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.226 0.61 . . . . 74.34 111.095 -168.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' HA2' ' A' ' 52' ' ' GLY . 6.3 m -96.73 126.5 41.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.092 -1.447 . . . . 72.32 107.092 170.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m 72.96 44.45 0.35 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.997 1.319 . . . . 73.45 109.213 -160.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.52 112.3 12.9 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.106 -0.952 . . . . 74.11 110.843 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.64 -112.3 1.02 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.451 -0.66 . . . . 74.12 111.451 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.75 73.41 7.73 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.657 0.741 . . . . 73.4 109.308 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.2 p -103.98 97.4 7.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.756 -1.111 . . . . 72.51 109.519 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -68.71 -50.01 54.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.271 0.628 . . . . 73.13 110.793 -171.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -162.26 -48.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.216 0.322 . . . . 74.12 111.681 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.659 ' HH ' ' HB3' ' A' ' 47' ' ' TYR . 1.4 m-85 56.65 33.85 23.51 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.793 1.237 . . . . 72.42 111.555 -177.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.8 m -121.75 119.26 31.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.006 0.922 . . . . 73.44 109.64 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -138.3 125.88 22.1 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.907 0.883 . . . . 74.54 109.663 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -107.82 111.3 23.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.566 0.746 . . . . 74.42 109.518 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -116.13 129.67 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.733 0.813 . . . . 71.15 110.669 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 t -88.84 -7.37 56.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.017 0.527 . . . . 72.21 110.548 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 35' ' ' SER . 30.7 m -140.81 137.56 33.41 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.321 0.648 . . . . 75.53 109.723 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.16 -16.02 63.03 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.054 0.761 . . . . 73.1 113.054 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.457 ' H ' HG22 ' A' ' 33' ' ' THR . 24.3 m -58.25 -41.57 84.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 122.891 0.476 . . . . 74.31 110.464 172.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -75.74 -34.95 60.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.064 0.946 . . . . 73.34 111.129 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.77 -35.01 42.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.382 1.073 . . . . 71.41 112.068 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.01 -47.02 81.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.4 0.68 . . . . 71.44 111.294 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -33.57 75.0 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.887 -0.597 . . . . 75.05 111.502 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.66 -55.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 123.778 0.674 . . . . 75.31 109.64 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -70.39 -27.72 64.53 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.99 0.806 . . . . 75.15 112.737 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.48 -54.8 41.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.641 0.376 . . . . 75.32 110.459 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.58 -35.77 60.52 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.482 0.488 . . . . 64.1 110.999 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 ' HG ' HD12 ' A' ' 48' ' ' ILE . 30.0 tp -64.27 -49.25 72.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.653 0.781 . . . . 71.31 110.496 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.1 ttpt -52.37 -47.33 66.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.618 1.167 . . . . 75.42 111.779 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.32 -43.21 74.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.291 -1.322 . . . . 63.33 111.065 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.659 ' HB3' ' HH ' ' A' ' 27' ' ' TYR . 14.6 m-30 -72.51 -49.8 30.33 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 123.558 0.743 . . . . 71.21 110.935 -177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.435 HG22 ' HG ' ' A' ' 56' ' ' SER . 87.4 mt -53.2 -32.27 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.169 0.987 . . . . 74.24 111.53 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB2' HD21 ' A' ' 82' ' ' LEU . 84.1 tttt -60.81 -41.88 96.55 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.477 -0.783 . . . . 75.11 111.807 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -82.21 -48.93 10.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.026 0.531 . . . . 72.33 111.494 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -90.66 78.26 6.24 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.54 -0.911 . . . . 74.44 108.54 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 19' ' ' THR . . . 161.8 104.0 0.19 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-N 114.688 -1.142 . . . . 71.01 110.689 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.67 -42.42 86.62 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.089 0.471 . . . . 61.2 110.643 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.5 mmpt? -129.44 -44.09 1.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.236 -0.893 . . . . 75.12 109.767 176.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.17 165.15 36.55 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 121.512 0.672 . . . . 74.23 112.713 -171.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.435 ' HG ' HG22 ' A' ' 48' ' ' ILE . 54.0 m -137.87 154.31 49.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.001 1.32 . . . . 75.31 108.513 168.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -93.67 150.06 20.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.564 0.746 . . . . 75.41 110.276 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.1 m -139.69 147.26 40.7 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.007 -1.109 . . . . 74.44 108.007 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -145.0 123.52 12.42 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.152 -1.055 . . . . 74.54 108.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.516 HG23 ' CD2' ' A' ' 71' ' ' PHE . 33.7 mt -115.01 133.0 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.606 1.162 . . . . 75.5 109.387 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.6 m -72.58 104.06 3.75 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.51 0.506 . . . . 65.35 110.443 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.4 130.44 42.19 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.356 -0.979 . . . . 74.5 108.356 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -83.12 -25.27 32.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.163 0.506 . . . . 75.44 110.179 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 p -133.38 151.12 51.81 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 124.041 0.937 . . . . 72.14 108.625 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -67.41 -18.24 65.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.075 0.55 . . . . 72.11 111.332 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.68 -39.15 93.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.757 0.823 . . . . 73.4 109.93 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 48.3 mt-10 -72.25 -39.63 68.29 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.259 -0.882 . . . . 75.44 110.367 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.411 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -54.26 -34.3 60.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.302 0.641 . . . . 72.23 111.653 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.95 -48.31 71.76 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.751 0.82 . . . . 74.44 112.29 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.495 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 22.0 pttp -77.69 -30.16 51.75 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.261 -0.4 . . . . 73.31 111.66 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.516 ' CD2' HG23 ' A' ' 60' ' ' ILE . 24.6 m-85 -72.51 -30.66 64.69 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.935 0.334 . . . . 74.25 110.142 171.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HB3' HG21 ' A' ' 96' ' ' VAL . . . -64.48 -43.28 94.67 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 109.857 -0.423 . . . . 72.44 109.857 171.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.28 70.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 73.4 111.282 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.78 -48.04 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 124.173 0.989 . . . . 73.43 111.074 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.06 -41.71 77.23 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.214 0.606 . . . . 74.32 111.535 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.646 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.7 mp -57.7 -43.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.802 0.841 . . . . 73.3 109.225 173.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.9 -45.47 92.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.874 0.734 . . . . 64.5 111.123 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 41' ' ' LEU . 8.6 t -60.5 -51.13 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.787 1.235 . . . . 65.43 111.583 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.01 -20.57 60.98 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.234 -0.439 . . . . 71.24 111.469 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 84' ' ' TYR . . . -73.01 -29.52 63.08 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.131 0.573 . . . . 64.12 111.085 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.89 -29.15 61.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.591 0.757 . . . . 71.02 110.237 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 49' ' ' LYS . 81.5 mt -78.53 -27.06 45.91 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.994 -0.548 . . . . 75.4 111.82 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.9 -104.73 0.19 Allowed Glycine 0 C--N 1.349 1.272 0 C-N-CA 121.357 -0.449 . . . . 73.33 112.832 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.0 m-85 -65.3 132.94 50.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.743 0.817 . . . . 74.21 110.896 -176.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -74.54 -36.19 63.12 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.43 0.456 . . . . 75.4 110.121 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -71.57 119.58 15.92 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.955 -1.021 . . . . 75.23 108.624 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.646 ' HB ' HG13 ' A' ' 76' ' ' ILE . 49.0 mm -129.91 150.29 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.912 0.885 . . . . 72.43 109.155 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -86.37 125.32 33.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.618 0.767 . . . . 73.44 109.341 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.586 ' HB ' HD12 ' A' ' 76' ' ' ILE . 3.4 p -135.4 144.05 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.382 1.073 . . . . 72.51 109.859 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 t -135.78 121.06 19.08 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.346 0.659 . . . . 64.54 109.336 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -89.26 101.32 13.98 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.578 -0.737 . . . . 71.31 109.946 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.25 -63.76 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.607 -0.886 . . . . 74.32 108.607 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.34 -56.89 0.57 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 110.768 -0.933 . . . . 72.15 110.768 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -72.73 -26.1 61.45 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.194 0.597 . . . . 73.53 109.964 170.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 p -139.41 151.65 46.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.953 0.901 . . . . 73.34 110.939 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 72' ' ' ALA . 3.6 p -117.34 109.65 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.398 -0.964 . . . . 74.13 108.398 165.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.1 m -96.45 114.36 26.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.317 0.647 . . . . 74.12 109.74 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.04 127.67 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.388 1.075 . . . . 71.4 109.547 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -131.63 143.6 50.43 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 107.85 -1.167 . . . . 74.23 107.85 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.5 ' HA2' HG21 ' A' ' 87' ' ' ILE . . . -62.18 154.96 40.06 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-O 120.121 -0.266 . . . . 75.14 112.83 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -74.29 136.03 42.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.09 0.556 . . . . 72.43 110.682 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.49 143.18 46.7 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.015 -0.993 . . . . 74.2 108.412 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.78 95.97 0.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.107 0.48 . . . . 73.41 110.536 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.68 89.34 0.14 Allowed Glycine 0 C--N 1.338 0.68 0 N-CA-C 110.382 -1.087 . . . . 74.2 110.382 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.96 142.42 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.647 0.779 . . . . 75.15 109.774 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.142 0.977 . . . . 72.23 108.567 178.733 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.619 0.247 . . . . 63.14 111.105 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.5 m80 61.22 69.99 0.63 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.053 1.341 . . . . 74.44 111.287 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -141.51 144.34 34.29 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.454 -0.794 . . . . 71.04 109.953 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -146.93 90.83 1.94 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.59 -1.263 . . . . 74.23 107.59 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -64.32 -59.9 3.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.831 0.852 . . . . 71.34 110.276 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -165.86 165.41 18.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.69 1.196 . . . . 73.45 109.663 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -142.38 81.47 1.74 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.906 -0.775 . . . . 74.44 108.906 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -93.49 103.11 15.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.551 -0.75 . . . . 75.02 108.986 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -142.6 -161.8 1.31 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.217 1.007 . . . . 75.3 108.428 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.63 54.78 4.99 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 111.644 -0.582 . . . . 63.25 111.644 172.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.5 129.77 40.9 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.619 0.768 . . . . 73.13 111.364 -171.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.456 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 71.0 mt -74.3 101.99 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.89 -1.152 . . . . 64.35 107.89 171.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -86.47 110.15 19.55 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.54 -0.754 . . . . 73.41 109.007 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -94.17 109.36 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 124.389 1.076 . . . . 63.31 108.337 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 58' ' ' THR . 34.8 tt0 -119.53 104.22 10.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.182 0.593 . . . . 74.31 109.62 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 27' ' ' TYR . 11.4 m120 -107.41 113.39 26.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.23 1.012 . . . . 70.04 108.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -115.69 124.84 51.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.631 0.773 . . . . 74.44 110.778 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -116.54 112.84 21.92 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.614 -1.254 . . . . 65.33 107.614 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.474 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 29.6 m -100.28 108.26 20.28 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.253 -0.647 . . . . 74.33 109.253 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 19' ' ' THR . 50.8 m -173.45 70.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.38 1.872 . . . . 65.31 106.593 175.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 73.61 -66.85 0.29 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.736 1.614 . . . . 71.3 111.798 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.55 98.04 0.31 Allowed Glycine 0 N--CA 1.475 1.237 0 N-CA-C 110.594 -1.002 . . . . 73.44 110.594 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.668 ' HG2' ' HB2' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -75.0 -41.92 58.56 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 117.069 0.434 . . . . 74.41 111.726 -171.792 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -151.15 -67.83 0.18 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.426 0.691 . . . . 71.31 109.811 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -166.18 138.34 3.84 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.929 -1.137 . . . . 73.42 107.929 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -69.3 118.55 12.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.374 -0.973 . . . . 74.01 108.374 173.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.457 ' HB2' ' HB2' ' A' ' 16' ' ' ASN . 91.2 m-85 -63.4 117.68 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.915 0.886 . . . . 73.33 111.198 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -138.38 127.05 23.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.377 -0.601 . . . . 72.44 109.377 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -134.5 155.43 50.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.929 0.891 . . . . 74.52 109.425 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m -129.17 105.97 8.52 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.823 -0.806 . . . . 72.31 108.823 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.9 m -117.57 135.51 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.853 0.861 . . . . 74.42 108.754 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -83.76 -25.23 30.67 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 122.069 -0.394 . . . . 75.45 110.163 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 35' ' ' SER . 14.4 m -118.06 147.42 43.27 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.531 0.732 . . . . 73.44 110.674 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.63 -31.97 73.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.282 1.033 . . . . 74.54 110.942 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.473 ' H ' HG22 ' A' ' 33' ' ' THR . 35.3 m -55.4 -45.87 76.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.639 1.176 . . . . 71.52 112.136 177.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.46 -43.86 96.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.976 0.911 . . . . 71.31 110.303 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.11 -35.42 80.69 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.112 -0.949 . . . . 70.32 112.18 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -62.6 -27.36 69.14 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.664 0.386 . . . . 74.25 111.369 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -54.16 7.06 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.22 -0.659 . . . . 74.32 109.22 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.63 -59.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.173 0 C-N-CA 124.541 1.136 . . . . 72.12 111.907 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.45 -35.46 80.99 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.386 0.884 . . . . 73.44 113.386 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -72.53 -35.11 68.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.165 0.186 . . . . 75.22 110.879 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.74 -31.19 26.13 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.294 -0.261 . . . . 75.32 110.294 175.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' A' ' 47' ' ' TYR . 40.0 tp -66.97 -27.63 67.61 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.569 1.148 . . . . 72.34 110.888 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.52 ' HB2' HG13 ' A' ' 78' ' ' VAL . 32.4 ttpt -46.48 -46.6 19.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.211 1.405 . . . . 75.14 111.121 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -76.33 -31.54 58.2 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.735 -1.12 . . . . 70.53 111.445 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' HB2' HD13 ' A' ' 44' ' ' LEU . 15.7 m-85 -65.85 -42.74 90.08 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.359 0.663 . . . . 65.13 111.261 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.5 -33.14 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.839 0.856 . . . . 71.12 109.733 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -67.76 -34.44 76.81 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.775 0.83 . . . . 73.21 110.695 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.31 -46.82 47.3 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.191 -0.913 . . . . 74.05 110.359 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.668 ' HB2' ' HG2' ' A' ' 23' ' ' LYS . 3.8 pt20 -157.47 137.79 12.78 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.602 -0.726 . . . . 63.34 110.877 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.38 -129.0 2.01 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 109.687 -1.365 . . . . 74.42 109.687 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . 36.2 t -154.38 169.6 23.34 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.612 0.706 . . . . 74.25 110.112 169.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -60.75 -34.58 74.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.479 1.112 . . . . 72.23 111.337 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.495 HH12 ' HB2' ' A' ' 57' ' ' ARG . 1.9 tmm_? -97.43 117.39 31.56 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 107.541 -1.281 . . . . 71.51 107.541 178.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -140.77 131.72 26.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.617 0.767 . . . . 64.22 111.236 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' HB2' HH12 ' A' ' 55' ' ' ARG . 70.3 ttp85 -113.98 151.13 32.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.555 1.142 . . . . 75.24 109.587 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 18.5 m -140.79 109.2 5.86 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.871 0.468 . . . . 74.43 110.625 171.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 m -97.92 121.2 39.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.428 0.691 . . . . 74.54 109.228 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.495 HG22 ' CD2' ' A' ' 71' ' ' PHE . 53.8 mt -122.99 128.42 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.902 0.881 . . . . 60.23 110.168 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.456 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 27.7 m -69.62 122.89 20.0 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.314 0.384 . . . . 72.14 110.591 175.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.54 138.61 52.41 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.177 0.991 . . . . 72.22 108.35 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 -24.81 22.09 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.852 -0.425 . . . . 75.0 109.852 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.0 p -135.17 162.73 31.69 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.411 1.084 . . . . 75.13 110.002 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -72.19 -27.29 62.47 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.502 0.556 . . . . 64.43 112.502 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -67.05 -29.52 69.34 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.687 0.221 . . . . 75.13 110.677 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 65.7 mt-10 -73.47 -48.24 35.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.601 -0.518 . . . . 72.35 109.601 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.73 62.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.2 0.6 . . . . 73.42 112.23 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.25 -27.29 47.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.88 0.472 . . . . 74.11 111.709 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -77.06 -42.54 37.96 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 119.117 -0.468 . . . . 73.2 110.287 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.495 ' CD2' HG22 ' A' ' 60' ' ' ILE . 37.2 m-85 -66.16 -29.6 69.92 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.89 0.476 . . . . 75.13 110.229 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.85 -55.39 35.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.691 0.62 . . . . 71.35 109.764 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.96 77.62 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 124.102 0.876 . . . . 61.41 111.534 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 78' ' ' VAL . 95.3 mt -61.08 -51.78 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 124.045 0.938 . . . . 74.14 110.244 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' HB ' ' A' ' 98' ' ' VAL . 82.9 mt -63.31 -36.33 83.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.256 1.023 . . . . 73.11 113.011 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -44.02 92.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 109.034 -0.728 . . . . 74.14 109.034 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -69.2 -39.46 78.62 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.69 0.796 . . . . 72.43 111.868 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 45' ' ' LYS . 69.2 t -60.73 -50.55 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.776 0.83 . . . . 75.04 110.499 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -85.52 -16.55 39.12 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.523 -0.762 . . . . 70.52 112.572 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.46 85.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.494 0.317 . . . . 74.24 110.451 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.67 -21.2 65.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.989 -0.55 . . . . 74.4 111.258 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.36 -27.25 27.83 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.208 0.603 . . . . 70.5 110.311 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 162.5 129.82 1.06 Allowed Glycine 0 C--N 1.345 1.03 0 CA-C-O 119.83 -0.428 . . . . 62.42 112.376 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -81.36 80.93 7.66 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.964 -0.754 . . . . 64.24 108.964 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -99.88 -73.31 0.64 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.799 -1.185 . . . . 74.23 107.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -178.19 124.52 0.11 Allowed 'General case' 0 C--N 1.349 0.558 0 N-CA-C 106.965 -1.494 . . . . 64.43 106.965 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm -107.85 119.31 57.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 N-CA-C 109.225 -0.657 . . . . 74.41 109.225 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 101' ' ' GLN . 0.9 OUTLIER -88.47 150.09 23.31 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.088 0.955 . . . . 74.32 109.745 176.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.56 146.21 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.475 0.71 . . . . 74.44 110.224 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 m -142.89 108.01 4.96 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.929 0.891 . . . . 75.24 108.971 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -88.52 100.13 12.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 108.231 -1.026 . . . . 74.02 108.231 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -138.74 128.89 25.51 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.258 1.023 . . . . 73.51 110.049 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 37.94 95.74 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 123.919 0.762 . . . . 74.42 113.322 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 60.3 19.54 9.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.788 1.235 . . . . 73.54 111.727 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 m -119.56 129.89 54.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.941 0.896 . . . . 74.25 109.028 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 71' ' ' PHE . 2.6 p -92.25 108.37 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 121.666 0.746 . . . . 75.12 109.469 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.8 m -102.41 100.45 10.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 74.21 108.86 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.438 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.8 t -93.45 125.01 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.756 0.822 . . . . 74.22 109.071 176.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -113.64 136.11 53.18 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.4 0.68 . . . . 72.25 109.631 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.12 2.72 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.217 -1.153 . . . . 62.43 110.217 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.428 ' HB2' ' ND2' ' A' ' 88' ' ' ASN . 30.4 tt0 -73.92 130.19 39.39 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 117.224 0.512 . . . . 74.23 110.484 -175.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -67.1 101.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.423 -0.808 . . . . 75.35 108.957 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.07 126.96 29.44 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 106.744 -1.576 . . . . 64.32 106.744 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.25 111.94 0.5 Allowed Glycine 0 C--N 1.336 0.566 0 O-C-N 123.746 0.654 . . . . 32.13 112.285 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -72.54 98.34 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 C-N-CA 123.549 0.74 . . . . 65.54 109.436 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 CA--C 1.555 1.161 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.409 -172.505 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.639 -0.504 . . . . 74.3 109.639 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -143.97 132.54 22.28 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.699 0.8 . . . . 74.14 109.242 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.73 87.37 2.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.781 0.8 . . . . 63.23 110.594 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -153.85 144.84 22.75 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 107.125 -1.435 . . . . 71.0 107.125 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -63.78 95.96 0.12 Allowed 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.224 0.535 . . . . 75.41 110.923 -176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.04 149.71 44.65 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.641 -1.163 . . . . 74.5 111.066 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -138.08 113.37 9.39 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 107.546 -1.279 . . . . 73.11 107.546 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.84 -45.97 90.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.692 0.797 . . . . 70.13 111.184 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 m -81.74 -10.33 59.39 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.66 0.784 . . . . 73.51 111.647 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . 67.68 69.92 1.26 Allowed Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.695 -0.562 . . . . 73.44 111.695 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.34 123.49 16.29 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.009 0.924 . . . . 74.13 111.076 -175.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.518 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 18.2 mt -72.16 104.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 114.65 -1.159 . . . . 74.24 110.612 -170.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -87.24 116.28 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.948 -0.76 . . . . 74.52 108.948 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -107.79 121.96 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 75.42 108.275 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' HG2' HG22 ' A' ' 28' ' ' THR . 42.3 mt-30 -131.39 115.49 16.3 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.433 -0.58 . . . . 73.43 109.433 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 24.5 t-20 -104.51 112.13 25.07 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.775 -0.824 . . . . 75.12 108.775 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -118.14 110.69 17.9 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.878 -1.527 . . . . 72.43 106.878 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.691 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 79.2 m-20 -100.64 139.61 36.08 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.198 -0.667 . . . . 73.5 109.198 -173.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.1 p -92.14 105.46 17.68 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.72 -1.215 . . . . 71.31 107.72 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.0 p 162.42 136.96 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.213 1.805 . . . . 75.14 107.997 -168.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.91 77.8 2.81 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.671 -0.863 . . . . 75.15 108.671 172.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.2 -4.45 0.03 OUTLIER Glycine 0 C--N 1.342 0.878 0 CA-C-N 115.355 -0.839 . . . . 73.53 113.727 -174.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -71.7 95.0 1.41 Allowed 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 117.928 0.864 . . . . 64.31 108.897 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.9 m -67.76 -61.35 1.92 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.891 0.876 . . . . 75.2 110.762 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -101.82 139.83 36.93 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 107.463 -1.31 . . . . 75.14 107.463 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.49 107.98 10.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 107.533 -1.284 . . . . 62.24 107.533 170.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 39.0 m-85 -78.7 74.57 5.23 Favored 'General case' 0 CA--C 1.553 1.066 0 O-C-N 124.172 0.92 . . . . 65.05 111.63 -162.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 HG22 ' HG2' ' A' ' 15' ' ' GLN . 89.3 m -107.31 124.78 50.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.023 0.929 . . . . 70.11 109.474 176.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -139.87 147.36 40.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.656 1.182 . . . . 75.51 108.274 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -128.37 108.12 10.31 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.586 0.63 . . . . 74.34 110.117 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 37' ' ' LEU . 24.9 m -113.24 148.03 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.225 1.01 . . . . 75.01 109.393 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -89.44 -22.76 22.35 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 118.014 0.37 . . . . 73.3 110.675 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.405 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 4.4 m -119.62 150.19 40.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.189 0.596 . . . . 73.1 110.982 -174.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 1.3 mp0 -71.01 -32.58 69.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.989 1.316 . . . . 74.51 111.082 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.1 t -57.43 -44.97 85.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.082 0.953 . . . . 71.45 110.833 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 38.6 mt-10 -65.82 -35.38 80.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.056 0.942 . . . . 72.25 110.838 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.9 tt -68.29 -28.75 67.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.195 -0.911 . . . . 74.12 111.797 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.82 -28.73 69.76 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.982 0.513 . . . . 71.33 110.744 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -36.42 56.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.798 0.839 . . . . 74.02 110.134 174.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -58.82 -47.65 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.728 0.811 . . . . 73.31 110.537 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD12 HD23 ' A' ' 44' ' ' LEU . 4.2 mm? -73.51 -26.52 60.92 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.386 0.674 . . . . 73.13 112.012 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.89 -48.15 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.254 0.622 . . . . 74.33 110.183 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -33.22 59.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.155 0.582 . . . . 75.3 110.925 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD23 HD12 ' A' ' 41' ' ' LEU . 38.2 tp -64.25 -35.36 80.58 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.891 0.877 . . . . 72.04 110.995 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.6 -40.91 63.18 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.621 1.169 . . . . 70.23 111.39 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.56 -47.8 58.49 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.151 -0.931 . . . . 71.44 110.637 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.73 -30.84 70.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.704 0.802 . . . . 75.12 112.621 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.604 HG12 HD22 ' A' ' 18' ' ' ASN . 78.4 mt -81.89 -51.09 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.321 0.648 . . . . 75.42 110.346 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.4 tttt -66.17 -46.37 77.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.368 0.667 . . . . 71.24 112.402 -172.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.7 -39.29 88.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.479 1.112 . . . . 70.33 111.253 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -79.15 -11.8 59.98 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.338 0.655 . . . . 75.12 111.473 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.02 71.18 1.12 Allowed Glycine 0 C--N 1.352 1.447 0 C-N-CA 123.221 0.439 . . . . 73.1 113.3 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' ' 18' ' ' ASN . 10.5 t -104.91 163.76 12.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.066 0.547 . . . . 71.24 111.189 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -98.08 -74.92 0.56 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.527 0.731 . . . . 71.43 109.826 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -99.79 128.06 45.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.936 0.494 . . . . 74.44 110.028 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 114.12 26.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.019 0.928 . . . . 73.12 109.241 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 97' ' ' THR . 36.5 ttt180 -104.51 112.28 25.28 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.263 -0.643 . . . . 72.52 109.263 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 m -113.54 118.78 35.39 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.766 -0.828 . . . . 74.1 108.766 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.7 t -103.68 118.88 37.74 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.593 -1.262 . . . . 74.32 107.593 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.08 126.48 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.204 1.002 . . . . 74.13 109.708 -171.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.518 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 87.8 m -60.0 114.57 2.9 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.363 0.602 . . . . 73.21 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.94 108.78 17.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.013 1.325 . . . . 75.31 108.54 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -60.49 -32.71 71.7 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.437 0.695 . . . . 74.51 110.762 -176.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.0 p -139.39 175.37 9.62 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.109 1.364 . . . . 75.13 108.4 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -75.46 -17.29 60.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 110.066 -0.346 . . . . 72.15 110.066 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -71.04 -34.31 71.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.564 0.746 . . . . 63.34 109.495 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mm-40 -67.63 -50.77 56.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 108.871 -0.789 . . . . 74.32 108.871 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.61 44.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.076 0.951 . . . . 73.54 112.471 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.89 -53.48 55.14 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.049 1.34 . . . . 73.21 111.303 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.481 ' HE3' ' HG2' ' A' ' 34' ' ' GLU . 61.8 pttt -73.02 -36.73 67.03 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 119.267 -0.397 . . . . 74.15 111.228 -173.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 74' ' ' ILE . 99.2 m-85 -71.14 -20.85 62.26 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.867 0.303 . . . . 74.33 111.349 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.53 76.54 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 109.148 -0.686 . . . . 72.32 109.148 170.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.46 70.66 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 118.146 0.43 . . . . 73.25 111.877 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 71' ' ' PHE . 97.8 mt -70.23 -41.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.497 1.119 . . . . 74.54 110.876 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.43 HD12 ' HB ' ' A' ' 98' ' ' VAL . 21.4 mt -79.02 -46.58 17.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.567 0.747 . . . . 74.12 112.144 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.517 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -52.81 -34.67 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.561 1.145 . . . . 74.2 110.4 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -35.36 76.91 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.933 0.893 . . . . 75.21 111.23 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG21 HD13 ' A' ' 41' ' ' LEU . 63.8 t -84.2 -43.15 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.037 0.935 . . . . 75.34 110.654 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -72.86 -21.92 60.86 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.124 0.569 . . . . 73.32 112.09 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.54 60.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.338 0.655 . . . . 74.41 111.119 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -82.02 -50.66 8.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.997 -0.547 . . . . 75.24 110.788 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 49' ' ' LYS . 30.3 mt -84.8 -28.23 26.29 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.031 -0.532 . . . . 74.54 111.686 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.58 -69.67 0.83 Allowed Glycine 0 C--N 1.339 0.698 0 CA-C-N 115.858 -0.61 . . . . 74.45 112.267 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 t80 51.11 74.89 0.21 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.443 1.097 . . . . 73.21 109.911 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -154.67 -69.13 0.13 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.299 -1.0 . . . . 75.05 108.299 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -171.45 159.11 5.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.541 1.136 . . . . 73.34 108.313 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.517 HG13 HG13 ' A' ' 76' ' ' ILE . 49.9 mm -111.61 140.15 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.112 0.565 . . . . 74.21 109.83 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -116.35 107.91 15.41 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.213 -1.032 . . . . 73.22 108.213 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG22 HG21 ' A' ' 98' ' ' VAL . 7.3 p -109.99 135.81 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.371 0.668 . . . . 71.43 110.238 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -146.25 136.93 24.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.991 1.317 . . . . 70.22 108.874 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -101.29 119.98 39.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.751 -0.833 . . . . 74.3 108.751 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -73.97 -30.54 62.57 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.273 0.629 . . . . 70.12 110.201 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.08 -87.06 0.2 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.56 -1.016 . . . . 73.1 110.56 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.11 11.14 12.45 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.599 0.76 . . . . 73.55 111.258 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.8 m -145.54 150.89 37.24 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.694 1.197 . . . . 70.33 108.62 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.83 117.21 52.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.281 0.632 . . . . 65.21 110.276 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 57' ' ' ARG . 18.5 m -90.48 116.81 28.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.656 0.782 . . . . 51.43 109.395 170.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.486 HG21 HG22 ' A' ' 89' ' ' VAL . 40.1 t -113.93 145.52 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 107.286 -1.376 . . . . 74.24 107.286 166.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.91 150.63 49.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.21 1.004 . . . . 65.02 110.102 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.99 122.62 6.26 Favored Glycine 0 C--N 1.342 0.907 0 N-CA-C 108.846 -1.702 . . . . 62.13 108.846 162.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -71.97 110.04 6.2 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.414 0.607 . . . . 75.44 110.324 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -111.61 136.19 51.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.325 1.05 . . . . 74.33 108.343 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -138.16 96.86 3.27 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.152 -1.055 . . . . 71.54 108.152 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.22 -120.38 0.06 OUTLIER Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.742 -0.663 . . . . 74.21 112.85 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.0 t -102.05 125.49 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.587 0.755 . . . . 72.31 109.814 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.246 0.894 0 N-CA-C 108.985 -0.746 . . . . 64.22 108.985 179.63 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 109.479 -0.563 . . . . 71.32 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.3 m170 58.67 27.03 15.28 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.844 1.257 . . . . 75.34 112.508 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -127.69 99.18 5.46 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.305 -0.998 . . . . 73.13 108.305 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -66.35 126.7 29.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.638 0.375 . . . . 73.43 111.332 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -114.6 -179.01 3.51 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.522 1.129 . . . . 74.04 109.209 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -82.4 27.49 0.5 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.984 0.514 . . . . 73.14 111.118 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -153.64 138.87 17.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.552 0.741 . . . . 64.51 109.468 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -135.9 146.31 47.23 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 106.75 -1.574 . . . . 73.34 106.75 167.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 m -79.82 160.67 26.04 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.124 0.487 . . . . 74.4 111.371 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.29 48.33 3.59 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.764 -0.653 . . . . 75.15 111.551 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' HA ' ' HA ' ' A' ' 32' ' ' THR . 4.5 p30 -88.85 157.35 18.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.079 0.951 . . . . 71.15 111.107 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.43 106.69 19.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 107.575 -1.268 . . . . 74.33 107.575 170.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.15 104.54 11.7 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.423 -0.584 . . . . 74.22 109.423 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 28' ' ' THR . 48.4 t -93.82 124.84 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.898 0.879 . . . . 75.13 108.715 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -133.62 151.38 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.436 0.694 . . . . 73.5 110.138 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -129.06 126.21 38.94 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.97 -1.122 . . . . 71.44 107.97 163.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -102.53 111.13 23.3 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.548 -1.279 . . . . 75.24 107.548 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -100.74 126.83 47.31 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.351 0.596 . . . . 74.25 110.067 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 36.9 m -93.67 108.67 20.37 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.331 -1.729 . . . . 74.55 106.331 168.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t 179.91 170.38 1.16 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.837 0.711 . . . . 54.14 110.054 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -81.76 -3.19 53.19 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.556 0.742 . . . . 70.44 111.83 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.33 145.41 48.62 Favored Glycine 0 C--N 1.358 1.79 0 C-N-CA 123.364 0.507 . . . . 61.35 113.854 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -71.0 -54.15 12.28 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.163 0.585 . . . . 74.31 112.339 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -78.24 87.24 4.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.421 0.629 . . . . 75.14 110.507 -171.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -77.38 -17.85 57.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.932 -1.031 . . . . 74.21 110.881 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.73 -80.88 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.868 1.267 . . . . 71.01 112.059 -173.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 55.19 18.88 2.61 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.744 1.217 . . . . 71.41 113.203 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 62.3 m -92.26 118.0 30.45 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.439 0.695 . . . . 63.45 109.483 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.9 123.17 39.84 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.524 -0.917 . . . . 74.3 108.524 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -97.19 104.11 16.1 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.539 -1.282 . . . . 75.22 107.539 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.46 123.87 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 109.11 -0.7 . . . . 75.13 109.11 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 12.7 t -86.55 -26.99 24.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 122.003 -0.436 . . . . 63.23 110.333 -173.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.45 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.8 m -106.52 143.62 34.38 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.229 0.612 . . . . 74.4 109.777 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.51 -30.44 70.12 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.303 0.641 . . . . 73.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.6 m -56.28 -38.64 71.47 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.039 0.935 . . . . 75.13 111.457 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 39.3 mt-10 -66.64 -42.77 86.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 115.441 -0.799 . . . . 72.21 110.308 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD13 HD12 ' A' ' 60' ' ' ILE . 9.2 tt -62.22 -30.29 70.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.138 -0.937 . . . . 75.11 111.394 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.58 -35.51 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.81 0.444 . . . . 73.12 111.664 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -33.91 26.97 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 118.919 -0.562 . . . . 74.32 111.689 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 m -63.8 -26.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.184 0.447 . . . . 64.2 110.562 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.508 HD11 HD22 ' A' ' 75' ' ' LEU . 3.6 mm? -70.45 -38.92 74.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.868 0.467 . . . . 70.51 111.865 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.452 0.701 . . . . 72.42 110.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.1 -46.7 61.26 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.53 -0.759 . . . . 73.13 110.884 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' HG ' HG13 ' A' ' 48' ' ' ILE . 28.9 tp -71.04 -22.0 62.19 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.57 0.748 . . . . 75.11 111.133 -174.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -50.01 -44.74 51.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.367 1.067 . . . . 74.3 111.298 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.87 -53.65 55.45 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.857 -1.065 . . . . 61.23 111.034 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.61 -43.11 90.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.854 0.862 . . . . 71.03 111.921 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 HG13 ' HG ' ' A' ' 44' ' ' LEU . 63.0 mt -60.76 -43.96 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.197 0.999 . . . . 74.15 109.826 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.21 -33.94 74.1 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.223 0.609 . . . . 75.12 110.897 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -79.49 -27.76 41.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.194 0.998 . . . . 75.51 112.0 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -120.83 17.29 11.85 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.358 0.663 . . . . 73.13 110.457 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 54.28 2.06 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.687 -0.965 . . . . 52.52 110.687 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -73.92 -9.25 58.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.547 0.739 . . . . 73.52 111.958 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 19' ' ' THR . 62.8 tttp -142.88 -71.08 0.32 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.154 0.982 . . . . 75.24 109.687 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -147.07 144.44 29.09 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.548 0.739 . . . . 71.34 110.043 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 p -140.55 117.52 11.13 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.005 0.922 . . . . 72.25 109.278 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.2 ttt-85 -112.16 113.67 26.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.705 0.802 . . . . 73.23 109.564 -174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.2 m -97.84 119.69 36.9 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.699 0.4 . . . . 72.22 110.574 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -113.96 120.41 40.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.041 0.936 . . . . 74.44 109.642 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 HD12 HD13 ' A' ' 37' ' ' LEU . 48.9 mt -111.43 127.02 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.214 1.006 . . . . 73.14 108.45 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.3 m -61.59 103.2 0.3 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.262 0.554 . . . . 74.03 111.116 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 96' ' ' VAL . . . -90.2 131.58 35.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.894 0.878 . . . . 73.5 109.693 176.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -88.25 -68.53 0.76 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.152 0.581 . . . . 75.04 109.657 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.6 p -96.07 177.12 5.84 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 124.12 0.968 . . . . 74.22 110.269 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.8 -29.4 69.88 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.912 -0.403 . . . . 74.41 109.912 171.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.07 -29.86 70.28 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 123.606 0.762 . . . . 74.11 110.955 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 17.3 mm-40 -72.39 -47.42 49.48 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.426 -0.583 . . . . 74.5 109.426 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . . . -59.13 -34.65 72.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.159 0.983 . . . . 75.01 112.801 -175.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.43 -37.99 20.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.637 0.375 . . . . 73.32 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 60.5 pttt -81.8 -40.32 22.73 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 119.034 -0.507 . . . . 74.53 110.858 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.41 ' HB2' HG12 ' A' ' 96' ' ' VAL . 88.9 m-85 -71.91 -23.26 61.45 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 118.119 0.418 . . . . 73.44 110.687 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.9 53.16 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.875 -0.787 . . . . 72.22 108.875 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' O ' ' HD2' ' A' ' 77' ' ' LYS . . . -55.44 -46.2 76.76 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.998 0.812 . . . . 73.24 111.367 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 71' ' ' PHE . 96.6 mt -55.6 -36.02 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.489 1.116 . . . . 74.53 111.171 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.598 HD23 ' HH ' ' A' ' 79' ' ' TYR . 87.7 mt -77.87 -46.64 20.82 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.018 0.527 . . . . 73.51 111.432 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.8 mp -59.16 -41.19 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.271 0.628 . . . . 64.51 111.293 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' ' 73' ' ' ALA . 1.2 mpmm? -55.53 -38.07 68.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.045 0.938 . . . . 74.42 111.363 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG23 HD13 ' A' ' 41' ' ' LEU . 90.0 t -79.85 -38.77 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.92 0.888 . . . . 71.11 111.283 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.598 ' HH ' HD23 ' A' ' 75' ' ' LEU . 9.1 m-30 -79.63 -21.51 44.8 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.891 0.476 . . . . 73.51 111.999 -172.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.19 62.62 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.803 0.335 . . . . 71.14 110.245 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.61 -29.45 27.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.368 0.667 . . . . 74.02 110.721 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.09 -12.74 43.28 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.684 0.794 . . . . 74.42 111.752 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.09 98.98 0.11 Allowed Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.457 -1.057 . . . . 52.41 110.457 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -77.98 104.53 8.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.15 0.58 . . . . 63.35 110.911 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -168.32 -172.42 1.72 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.818 1.247 . . . . 71.32 108.795 175.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -67.86 103.24 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.503 -0.555 . . . . 73.55 109.503 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.479 ' HB ' HG13 ' A' ' 76' ' ' ILE . 33.1 mm -83.65 128.71 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 108.762 -0.829 . . . . 72.54 108.762 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.0 134.52 34.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.643 0.377 . . . . 72.01 111.57 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.39 141.26 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.39 1.076 . . . . 71.43 109.258 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.9 m -138.81 109.16 6.48 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.263 1.025 . . . . 74.25 108.757 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -86.86 99.59 11.94 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.858 -0.793 . . . . 75.12 108.858 175.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.29 130.64 56.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.094 -0.957 . . . . 73.45 109.15 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.34 31.67 81.54 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-O 119.332 -0.705 . . . . 75.45 113.005 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 65.32 12.42 8.06 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 125.229 1.412 . . . . 63.03 112.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 m -103.98 144.73 31.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.425 1.09 . . . . 74.4 108.715 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG11 ' HB1' ' A' ' 62' ' ' ALA . 3.2 p -91.08 109.34 20.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 121.843 0.83 . . . . 64.34 108.971 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.4 m -121.23 123.77 43.04 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 114.993 -1.003 . . . . 65.22 109.419 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.2 t -122.47 143.36 35.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.218 -0.66 . . . . 71.24 109.218 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -140.72 160.03 40.93 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.906 0.883 . . . . 72.44 109.112 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.57 139.3 41.26 Favored Glycine 0 C--N 1.347 1.187 0 N-CA-C 111.962 -0.455 . . . . 73.45 111.962 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -75.26 107.6 7.47 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.161 0.505 . . . . 63.21 110.339 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.478 ' H ' HD22 ' A' ' 102' ' ' LEU . 2.5 pt? -88.85 163.71 15.52 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.317 -0.856 . . . . 73.42 108.881 169.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.57 90.02 0.73 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.451 -0.574 . . . . 74.11 109.451 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -95.28 64.15 1.37 Allowed Glycine 0 C--N 1.342 0.913 0 N-CA-C 110.623 -0.991 . . . . 72.32 110.623 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -54.21 123.57 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.429 1.091 . . . . 71.14 112.181 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.555 1.155 0 C-N-CA 124.173 0.989 . . . . 70.13 110.652 -179.326 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.54 0.209 . . . . 75.44 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -85.24 76.15 10.2 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.838 0.828 . . . . 75.41 109.04 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.66 -25.57 63.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.531 -1.213 . . . . 75.13 110.705 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -82.85 58.38 4.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.66 0.784 . . . . 62.12 110.119 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -69.92 120.17 15.23 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.468 0.707 . . . . 74.54 110.043 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -118.0 123.45 45.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.671 0.788 . . . . 63.54 109.171 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.63 153.92 42.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.869 0.468 . . . . 75.21 110.681 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 63.55 53.5 2.08 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.542 1.151 . . . . 75.32 108.951 -171.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.3 m -64.97 -29.23 70.15 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 114.884 -1.053 . . . . 71.54 111.079 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.52 159.95 29.09 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 116.431 -0.349 . . . . 64.32 113.151 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -72.17 153.16 41.79 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.246 0.546 . . . . 75.13 110.463 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 58.1 mt -108.09 118.95 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.063 0.945 . . . . 74.52 109.445 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -80.77 146.45 30.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.809 0.844 . . . . 72.14 110.67 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 46.2 t -128.4 107.21 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 106.725 -1.583 . . . . 73.3 106.725 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 58' ' ' THR . 86.5 mt-30 -113.4 104.07 11.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.801 -0.814 . . . . 74.02 108.801 -176.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.672 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 27.4 t-20 -104.69 117.46 34.14 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.261 -0.644 . . . . 74.5 109.261 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -120.17 109.56 15.57 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.427 -0.953 . . . . 73.22 108.427 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -102.98 119.91 39.69 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.406 -0.961 . . . . 74.12 108.406 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -118.9 120.12 36.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.026 0.931 . . . . 74.2 110.284 -172.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.4 p -172.89 157.57 3.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.519 1.128 . . . . 71.21 109.85 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.83 98.48 0.13 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.095 0.958 . . . . 73.02 110.768 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.92 -130.79 2.44 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.363 -1.095 . . . . 63.34 110.363 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -107.5 109.02 20.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.711 0.804 . . . . 64.24 109.671 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.3 p -82.21 95.83 7.66 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 109.793 -0.447 . . . . 73.31 109.793 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.68 94.32 3.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.996 0.519 . . . . 75.22 109.674 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.79 117.22 10.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.144 0.578 . . . . 73.23 109.744 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.672 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 55.4 m-85 -106.08 132.69 51.86 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.406 0.682 . . . . 75.34 109.173 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.4 m -139.05 125.54 20.49 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.57 0.748 . . . . 74.41 109.438 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 67.4 m-85 -123.42 148.66 45.91 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.284 1.033 . . . . 71.42 108.259 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.2 m -129.95 108.0 9.78 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.328 -0.989 . . . . 74.21 108.328 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.601 HG21 ' HB2' ' A' ' 37' ' ' LEU . 33.5 m -104.75 160.74 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.516 0.727 . . . . 64.42 110.3 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 HG22 ' HG1' ' A' ' 33' ' ' THR . 14.6 t -112.95 -13.89 13.08 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.049 0.54 . . . . 72.43 110.089 172.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.506 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 37.6 m -125.65 144.55 50.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.301 1.041 . . . . 73.41 109.999 -176.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 40.8 mt-10 -65.32 -38.24 89.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.293 1.037 . . . . 71.41 110.837 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.418 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 23.9 m -58.53 -44.02 89.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.21 -0.904 . . . . 71.41 111.643 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 52.6 mt-10 -60.53 -37.28 80.69 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.005 0.816 . . . . 61.22 110.92 178.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 31' ' ' VAL . 7.9 tt -68.69 -35.58 77.38 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.818 -0.628 . . . . 74.2 110.865 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.99 -35.56 75.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.952 0.501 . . . . 74.31 110.767 174.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -71.14 -49.78 40.43 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.73 -0.668 . . . . 75.24 110.464 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 37' ' ' LEU . 15.5 m -64.1 -27.48 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 123.004 0.19 . . . . 73.15 111.023 -176.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 78' ' ' VAL . 2.6 mm? -81.14 -36.21 30.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.946 0.898 . . . . 72.14 111.97 175.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.35 -43.73 88.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.378 0.671 . . . . 73.52 110.357 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.93 -35.91 28.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.184 -0.916 . . . . 74.32 111.205 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 30.5 tp -54.68 -36.62 64.83 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.997 0.919 . . . . 74.23 110.871 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -52.49 -43.66 65.17 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.566 1.546 . . . . 75.25 112.008 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 27.3 t70 -66.29 -41.62 89.54 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.197 0.999 . . . . 70.42 111.321 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HB3' ' HH ' ' A' ' 27' ' ' TYR . 85.4 m-85 -62.35 -49.1 76.91 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.748 0.655 . . . . 73.13 111.755 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.24 -37.11 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.882 0.873 . . . . 75.01 110.275 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HB2' HD22 ' A' ' 82' ' ' LEU . 32.9 ttpt -61.29 -43.8 98.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.33 1.052 . . . . 72.4 110.679 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.3 -34.6 78.35 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.682 1.193 . . . . 75.24 110.407 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -65.2 -42.45 93.54 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.098 -0.956 . . . . 74.21 110.101 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.5 31.0 78.15 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 115.265 -0.879 . . . . 72.45 111.584 -171.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 t -80.25 136.42 36.45 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.735 0.814 . . . . 72.41 111.005 -166.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -63.2 -48.5 78.07 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.19 0.931 . . . . 71.43 111.763 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -97.49 126.58 42.85 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.92 -0.77 . . . . 74.33 108.92 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.5 p -131.61 121.76 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.452 -1.314 . . . . 74.22 107.452 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -137.65 140.36 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.14 0.576 . . . . 74.24 109.455 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 10.0 m -140.15 132.69 28.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.775 0.43 . . . . 65.03 110.388 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 m -113.59 120.64 41.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.088 0.955 . . . . 74.33 108.95 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.2 mt -115.93 134.25 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.761 0.825 . . . . 74.3 109.78 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 44.4 m -64.49 135.8 56.42 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.92 0.488 . . . . 74.11 111.266 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.15 136.22 34.89 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.766 1.226 . . . . 74.23 109.171 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -94.95 -60.5 1.67 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.295 0.638 . . . . 63.44 109.544 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.2 p -102.1 170.12 8.31 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.56 -0.533 . . . . 73.24 109.56 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -74.06 -28.39 61.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.242 0.46 . . . . 72.05 112.242 -174.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -70.24 -31.93 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 117.658 0.208 . . . . 73.51 110.793 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.5 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.1 mt-10 -68.0 -36.94 80.83 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.086 -0.506 . . . . 74.54 110.239 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.02 93.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.855 -0.611 . . . . 61.34 111.179 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 51.5 mt-10 -74.44 -37.05 63.38 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.949 0.499 . . . . 70.13 112.275 -176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.3 pttt -72.51 -39.1 67.87 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.781 0.264 . . . . 73.12 111.071 -178.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 37' ' ' LEU . 72.6 m-85 -76.74 -24.66 53.0 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.083 0.239 . . . . 73.21 111.485 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.513 ' HB1' HG21 ' A' ' 96' ' ' VAL . . . -58.99 -45.96 89.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.43 -0.581 . . . . 71.42 109.43 168.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.12 93.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.96 -1.018 . . . . 73.24 111.146 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.99 -28.1 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.794 0.837 . . . . 73.34 110.909 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.17 -48.9 12.43 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.184 -0.462 . . . . 74.53 111.326 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 72' ' ' ALA . 46.6 mt -58.81 -35.61 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 C-N-CA 123.386 0.674 . . . . 74.1 111.311 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -25.11 67.01 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.61 0.764 . . . . 74.41 111.534 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 41' ' ' LEU . 14.1 t -84.63 -48.24 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.135 0.974 . . . . 73.53 110.846 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -65.44 -40.96 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.808 0.843 . . . . 70.3 112.156 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.93 73.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.864 0.727 . . . . 72.55 111.882 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.12 -47.07 81.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.372 0.669 . . . . 74.52 110.24 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 49' ' ' LYS . 70.9 mt -68.92 -27.36 65.69 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.003 -0.999 . . . . 74.44 111.374 -176.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.71 -142.57 14.08 Favored Glycine 0 C--N 1.344 0.986 0 N-CA-C 111.01 -0.836 . . . . 72.44 111.01 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 56.66 98.91 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.262 1.425 . . . . 75.34 111.108 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.468 HD21 ' N ' ' A' ' 85' ' ' ASN . 0.8 OUTLIER -78.95 125.07 28.88 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.383 -0.599 . . . . 65.35 109.383 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.16 97.75 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.438 1.495 . . . . 71.23 110.479 -170.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.5 mm -90.65 137.02 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.557 0.743 . . . . 72.22 109.014 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 101' ' ' GLN . 88.5 m-20 -87.26 130.07 34.73 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.969 0.507 . . . . 75.11 109.86 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.408 HG21 HD13 ' A' ' 76' ' ' ILE . 61.1 t -117.87 120.01 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.534 1.134 . . . . 75.24 108.66 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m -119.05 108.6 14.92 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.908 0.883 . . . . 74.4 109.513 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -73.01 115.08 11.89 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.484 -0.932 . . . . 64.2 108.484 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -131.7 73.78 1.55 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.448 0.699 . . . . 73.1 110.386 -170.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.78 -105.22 1.1 Allowed Glycine 0 C--N 1.346 1.133 0 CA-C-N 114.855 -1.066 . . . . 75.25 113.65 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.99 6.6 47.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.782 0.833 . . . . 71.21 111.322 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 p -141.47 132.75 26.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.943 0.897 . . . . 74.23 111.206 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.513 HG21 ' HB1' ' A' ' 72' ' ' ALA . 7.2 p -94.21 112.87 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 N-CA-C 108.832 -0.803 . . . . 62.34 108.832 168.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.1 m -101.53 104.12 15.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.387 1.075 . . . . 71.24 110.38 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.15 128.85 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.738 0.815 . . . . 62.41 109.027 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -134.82 138.4 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.867 0.867 . . . . 74.02 110.145 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.49 124.71 8.25 Favored Glycine 0 C--N 1.35 1.314 0 N-CA-C 110.049 -1.221 . . . . 34.0 110.049 168.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.414 ' HB3' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -74.14 168.68 19.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.176 0.59 . . . . 61.13 112.137 -170.396 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.33 101.6 14.27 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 108.272 -1.01 . . . . 73.12 108.272 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 103.28 13.57 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 108.867 -0.79 . . . . 71.35 108.867 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 173.8 165.48 30.57 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.656 -0.702 . . . . 54.11 111.374 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.64 144.0 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 122.777 0.431 . . . . 73.43 110.418 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.048 0 N-CA-C 109.127 -0.694 . . . . 71.54 109.127 178.606 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.447 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.286 -0.635 . . . . 73.02 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -125.6 115.27 19.89 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 108.902 -0.777 . . . . 73.44 108.902 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -111.93 152.31 28.19 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.652 0.781 . . . . 75.21 109.549 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -78.53 159.72 28.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.107 -0.701 . . . . 75.4 109.107 173.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -123.76 117.71 25.55 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.98 -1.118 . . . . 75.32 107.98 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.61 85.34 5.35 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.829 -0.804 . . . . 74.51 108.829 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.51 133.86 38.9 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.409 0.623 . . . . 72.42 109.563 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -106.55 37.31 2.35 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.534 1.134 . . . . 75.22 109.548 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.72 -39.08 64.95 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.057 0.943 . . . . 72.04 110.398 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.54 144.95 11.14 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 114.318 -1.31 . . . . 74.5 111.002 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -71.77 135.23 46.64 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 52.8 mt -83.14 102.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.031 -0.729 . . . . 75.42 109.031 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -85.67 120.98 27.7 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 109.014 -0.735 . . . . 75.34 109.014 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.0 t -111.03 123.65 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.475 -1.305 . . . . 71.14 107.475 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -134.54 114.49 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.415 -0.957 . . . . 74.22 108.415 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 23.8 t-20 -104.23 146.23 29.09 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.39 -0.596 . . . . 73.04 109.39 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -122.34 108.58 13.4 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 107.961 -1.126 . . . . 70.22 107.961 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.429 HD22 ' HB2' ' A' ' 51' ' ' GLN . 43.4 t30 -101.39 148.76 24.78 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.315 -0.995 . . . . 73.25 108.315 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.491 HG22 ' SG ' ' A' ' 20' ' ' CYS . 19.7 m -93.49 144.65 25.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.241 0.616 . . . . 65.14 110.172 -172.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.491 ' SG ' HG22 ' A' ' 19' ' ' THR . 35.2 m 67.49 29.95 7.01 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.304 1.442 . . . . 73.44 112.065 175.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -126.48 85.44 2.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.469 -0.937 . . . . 74.14 108.469 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.78 -35.51 62.01 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 115.022 -0.99 . . . . 75.22 112.455 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -95.9 61.15 2.15 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.466 1.127 . . . . 74.52 109.758 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -59.52 121.58 11.91 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.333 -1.303 . . . . 64.21 111.053 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -63.8 -68.8 0.32 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.365 -0.976 . . . . 71.03 108.365 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -177.28 135.76 0.2 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.431 1.082 . . . . 52.44 108.672 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 87.2 m-85 -128.28 4.32 5.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.358 1.063 . . . . 74.15 110.703 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 71.9 m -105.42 117.57 34.35 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.291 0.636 . . . . 75.44 110.6 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -128.51 157.78 40.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.49 0.716 . . . . 74.24 109.186 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.03 129.35 41.89 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.687 -0.857 . . . . 73.02 108.687 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.85 132.25 61.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.873 0.869 . . . . 74.34 108.885 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.047 0.539 . . . . 65.34 111.672 -176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 30.2 m -141.18 151.11 43.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.605 0.762 . . . . 75.22 110.878 -178.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -66.17 -39.3 89.65 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.427 1.491 . . . . 75.34 113.981 -171.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 t -70.55 -31.8 68.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.268 0.227 . . . . 64.04 111.257 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 6.4 mm-40 -64.69 -30.16 71.17 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.554 0.692 . . . . 72.1 110.177 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 HD22 HG22 ' A' ' 12' ' ' ILE . 25.0 tp -66.4 -33.69 76.28 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.197 -1.365 . . . . 75.1 112.063 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -61.34 -38.51 87.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.309 0.643 . . . . 75.22 111.119 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -68.89 -53.5 20.82 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.599 0.759 . . . . 74.33 110.641 -179.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.12 -28.42 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.718 -0.674 . . . . 75.34 112.089 -167.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HG ' HG23 ' A' ' 74' ' ' ILE . 3.6 mm? -71.76 -39.91 69.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.711 0.404 . . . . 73.54 111.593 174.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.39 -30.68 68.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.231 0.612 . . . . 73.4 111.294 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.35 -37.28 18.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.84 0.456 . . . . 74.3 110.893 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 27' ' ' TYR . 45.2 tp -62.72 -34.86 78.04 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.22 0.608 . . . . 74.21 110.381 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -45.61 -46.82 14.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.717 1.607 . . . . 75.13 112.427 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.29 -35.58 73.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 64.52 111.521 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.96 -23.57 60.68 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.311 0.644 . . . . 75.31 111.803 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -81.89 -48.08 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.225 1.01 . . . . 74.44 109.747 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -68.42 -22.18 64.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.905 0.882 . . . . 74.34 111.814 -171.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -55.05 -36.03 65.13 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.828 0.851 . . . . 74.14 110.831 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' HB2' HD22 ' A' ' 18' ' ' ASN . 14.5 mp0 -96.69 -71.0 0.69 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.53 -1.285 . . . . 75.44 107.53 171.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.49 35.14 65.24 Favored Glycine 0 C--N 1.361 1.968 0 O-C-N 123.682 0.614 . . . . 63.34 113.547 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.63 -65.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.09 0.956 . . . . 72.4 112.244 -170.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 19' ' ' THR . 4.5 mptp? -120.46 -84.58 0.66 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.752 -0.833 . . . . 74.32 108.752 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -120.67 165.9 14.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.64 0.733 . . . . 74.52 111.093 -168.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -136.12 127.11 27.76 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 106.424 -1.695 . . . . 74.31 106.424 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -124.59 108.17 11.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.03 0.832 . . . . 75.42 109.073 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -97.86 140.47 32.18 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.765 0.426 . . . . 73.45 110.272 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -121.41 118.27 29.01 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.246 -1.39 . . . . 74.23 107.246 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.4 mt -120.15 126.66 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.986 0.914 . . . . 74.43 108.831 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.8 m -61.07 128.31 35.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.503 0.721 . . . . 74.32 110.992 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.33 114.64 16.46 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.239 1.016 . . . . 71.05 108.359 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 9.4 mmt180 -76.59 -22.19 54.58 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.038 0.446 . . . . 73.2 111.74 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -135.38 170.4 16.0 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.543 1.137 . . . . 74.32 108.704 171.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.56 -25.31 65.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.505 -0.316 . . . . 72.31 110.48 170.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -66.4 -34.2 77.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.332 0.653 . . . . 73.31 111.043 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.638 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 33.5 mm-40 -66.85 -43.58 83.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.541 -0.54 . . . . 72.45 109.541 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.21 71.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.18 0.992 . . . . 71.12 112.375 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.14 -58.64 4.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.535 0.734 . . . . 74.25 111.933 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 41.8 pttt -68.11 -28.88 67.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.676 -0.693 . . . . 73.32 111.714 -174.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.3 m-30 -88.58 -17.83 29.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.428 0.691 . . . . 73.41 112.161 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HB1' ' HE1' ' A' ' 91' ' ' TRP . . . -59.98 -49.73 76.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.361 -0.977 . . . . 73.43 108.361 166.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.57 68.31 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.894 0.746 . . . . 63.01 112.404 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.442 HG23 ' HG ' ' A' ' 41' ' ' LEU . 57.7 mt -58.99 -45.33 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.85 0.86 . . . . 73.12 110.305 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.51 -37.67 68.31 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.082 -0.963 . . . . 71.1 112.462 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.426 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -59.38 -38.01 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 123.399 0.68 . . . . 74.44 110.084 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.82 -55.6 28.29 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.259 0.624 . . . . 72.21 111.136 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 69.1 t -53.02 -52.59 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.608 1.163 . . . . 75.51 111.752 -175.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -69.38 -35.31 75.68 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.398 -0.819 . . . . 72.02 111.936 -174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.99 73.45 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.777 0.431 . . . . 61.31 111.105 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -83.54 -16.58 44.94 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.602 0.761 . . . . 64.4 111.485 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 91.4 mt -77.47 -23.25 50.41 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.448 -0.575 . . . . 73.42 109.448 167.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.06 10.86 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.351 -0.84 . . . . 34.53 112.321 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.26 96.33 2.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.833 0.853 . . . . 73.33 109.804 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -79.01 -42.98 25.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.553 0.741 . . . . 72.14 110.291 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -69.86 123.83 22.47 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.221 -1.029 . . . . 74.43 108.221 169.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.426 HG13 HG13 ' A' ' 76' ' ' ILE . 48.9 mm -112.52 118.46 57.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 123.128 0.571 . . . . 75.13 109.955 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.31 107.74 18.98 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.291 -1.374 . . . . 74.53 107.291 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.12 139.99 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.576 0.75 . . . . 64.1 110.05 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.3 m -129.82 119.64 23.7 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.537 1.135 . . . . 75.34 108.635 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.487 ' HE1' ' HB1' ' A' ' 72' ' ' ALA . 8.6 m-90 -97.33 98.52 10.04 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.044 -0.724 . . . . 73.22 109.044 173.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -80.64 -35.01 34.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.503 0.721 . . . . 55.32 109.928 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 -46.27 1.19 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.414 -0.812 . . . . 70.45 111.424 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.8 -24.76 35.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.359 0.664 . . . . 63.2 109.457 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 m -144.21 143.06 30.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.44 0.696 . . . . 72.14 109.744 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.18 138.01 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 108.38 -0.97 . . . . 74.33 108.38 164.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.3 m -131.98 135.48 46.59 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.538 0.735 . . . . 72.44 109.212 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.53 140.9 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.956 -1.127 . . . . 73.35 107.956 172.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -132.1 145.54 51.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 74.51 109.775 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.66 114.24 5.25 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 124.181 0.926 . . . . 63.34 112.174 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -79.63 129.87 34.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.55 0.74 . . . . 73.41 109.358 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.6 114.55 27.04 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.214 -1.032 . . . . 72.43 108.214 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 88.16 0.59 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.643 0.735 . . . . 72.31 109.641 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.75 50.67 0.19 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 109.913 -1.275 . . . . 74.42 109.913 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.8 170.1 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.737 0 C-N-CA 123.547 0.739 . . . . 72.44 110.934 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 123.859 0.864 . . . . 54.2 108.671 -178.022 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.973 0.416 . . . . 74.15 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -143.12 154.88 44.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.542 1.137 . . . . 73.15 108.679 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -71.08 99.85 1.92 Allowed 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.673 0.749 . . . . 75.31 110.44 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -81.93 165.11 21.05 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.425 -0.807 . . . . 71.42 111.481 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -72.6 172.22 11.0 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.196 -0.911 . . . . 75.42 109.32 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -53.42 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.851 0.86 . . . . 75.22 111.438 -172.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -69.76 129.85 40.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 115.464 -0.789 . . . . 75.32 110.379 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -92.94 -165.25 1.3 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.13 0.972 . . . . 74.12 110.389 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -56.66 120.55 7.98 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.344 0.658 . . . . 63.51 110.048 172.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.9 91.41 0.23 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 110.556 -1.017 . . . . 70.12 110.556 173.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -67.1 151.06 48.3 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.973 0.909 . . . . 63.14 111.534 -168.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 41.6 mt -78.21 105.19 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.934 -1.03 . . . . 75.43 109.639 -176.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -86.77 113.98 23.06 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.872 -0.788 . . . . 74.13 108.872 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.7 t -100.21 123.39 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.471 1.109 . . . . 63.32 108.377 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -128.86 151.81 49.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.369 1.068 . . . . 63.14 108.878 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -136.57 116.88 13.59 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.441 -0.948 . . . . 72.2 108.441 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.51 110.45 22.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.094 -1.076 . . . . 75.43 108.094 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -100.45 113.18 25.75 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.131 -1.433 . . . . 74.31 107.131 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 p -124.08 125.49 44.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.38 0.672 . . . . 75.11 109.671 -172.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.574 ' HB3' ' H ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -164.73 173.26 12.03 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 124.322 1.049 . . . . 74.4 109.741 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -67.52 129.97 41.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.266 0.627 . . . . 74.21 110.67 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.84 -72.73 2.67 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 116.235 -0.439 . . . . 61.53 112.769 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.99 147.99 23.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.459 0.704 . . . . 63.33 111.758 -175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.3 m -150.05 135.57 18.25 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.074 1.35 . . . . 73.11 108.567 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.13 164.13 22.29 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.417 0.687 . . . . 75.41 110.309 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -148.27 131.26 16.24 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 108.748 -0.834 . . . . 64.34 108.748 172.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -113.56 136.66 52.56 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.192 -1.04 . . . . 71.3 108.192 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -135.55 128.0 30.48 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.01 0.368 . . . . 72.52 110.651 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.65 133.41 43.55 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.118 1.367 . . . . 75.51 108.045 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -114.66 109.3 18.01 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.247 -0.649 . . . . 74.2 109.247 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG22 ' HB2' ' A' ' 37' ' ' LEU . 30.5 m -114.84 155.6 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.713 0.805 . . . . 74.2 109.746 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 t -111.29 -4.09 15.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.735 0.414 . . . . 70.2 110.665 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.533 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 3.4 m -133.26 143.8 49.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.622 0.769 . . . . 74.2 109.694 -177.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -68.11 -33.26 74.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 72.43 110.98 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 m -58.21 -46.95 84.94 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.165 -0.925 . . . . 72.22 110.986 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 42.6 mt-10 -60.44 -46.05 91.43 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.781 0.833 . . . . 71.51 110.002 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' HB2' HG22 ' A' ' 31' ' ' VAL . 5.6 tt -55.62 -35.73 66.2 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.285 -1.325 . . . . 75.0 112.319 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.24 -46.79 82.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.248 0.619 . . . . 74.5 111.423 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -31.2 62.56 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.927 0.491 . . . . 71.32 111.081 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.41 -40.71 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.828 0.851 . . . . 74.14 111.01 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.5 HD13 HG22 ' A' ' 78' ' ' VAL . 4.2 mm? -71.45 -29.24 64.63 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.042 0.537 . . . . 72.23 112.301 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -75.04 -43.97 50.43 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.188 0.595 . . . . 74.12 111.237 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.57 -39.58 77.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.498 0.319 . . . . 74.32 110.493 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.35 -43.82 96.61 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.215 1.006 . . . . 74.03 110.122 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -47.52 -45.67 26.82 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.495 1.518 . . . . 74.12 112.039 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.9 -1.045 . . . . 72.15 111.025 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.6 -36.13 68.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.592 0.757 . . . . 74.3 112.206 -173.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.5 -44.93 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.907 0.883 . . . . 72.41 109.591 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.498 ' HB2' HD22 ' A' ' 82' ' ' LEU . 33.2 ttpt -69.24 -44.78 71.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.268 1.427 . . . . 74.44 111.968 -178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.78 -34.25 77.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.758 1.223 . . . . 75.42 111.484 -169.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.17 139.76 32.97 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.492 -0.929 . . . . 74.44 108.492 168.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.42 43.86 3.28 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-O 120.132 -0.26 . . . . 75.14 112.906 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 t -73.89 158.37 34.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.003 0.521 . . . . 75.41 110.142 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 57.1 tptt -79.75 -59.82 2.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.373 0.669 . . . . 74.1 110.216 -172.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.18 135.28 42.96 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.209 -0.663 . . . . 73.15 109.209 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -137.21 129.1 29.03 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.451 -0.944 . . . . 74.21 108.451 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HA ' ' HH ' ' A' ' 79' ' ' TYR . 76.2 mtt180 -117.61 127.19 53.71 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.369 -0.604 . . . . 72.33 109.369 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.523 ' HB ' HD21 ' A' ' 75' ' ' LEU . 13.0 m -97.1 144.04 27.34 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.944 -1.132 . . . . 75.31 107.944 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 13.0 t -137.86 120.94 16.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.51 0.724 . . . . 74.33 109.463 -170.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 HD13 HD11 ' A' ' 37' ' ' LEU . 55.9 mt -121.2 134.63 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.015 0.926 . . . . 65.31 109.639 -173.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.439 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 62.1 m -68.21 138.7 55.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.445 0.698 . . . . 64.44 110.968 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.44 129.08 19.21 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.018 0.927 . . . . 74.13 109.026 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -93.56 -43.44 8.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.739 0.416 . . . . 71.43 110.102 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -105.03 166.37 10.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.589 0.756 . . . . 75.22 109.761 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.611 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -62.32 -35.62 79.65 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 123.968 0.792 . . . . 74.22 110.796 177.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.57 -36.74 83.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.369 0.668 . . . . 74.52 110.761 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 50.7 mt-10 -68.69 -39.5 80.52 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 115.589 -0.732 . . . . 73.54 110.376 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.4 89.8 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.719 0.407 . . . . 74.3 111.215 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.14 -36.61 58.7 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 71.41 111.673 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 61.8 pttt -82.07 -41.49 20.52 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 119.198 -0.429 . . . . 74.42 111.997 -174.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -70.43 -26.06 63.49 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.232 0.469 . . . . 71.3 110.865 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.5 -50.13 74.05 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.787 0.679 . . . . 72.14 109.651 168.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -64.21 -36.75 85.08 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.511 0.725 . . . . 74.44 111.879 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.51 -41.06 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 124.645 1.178 . . . . 75.22 110.466 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 HD21 ' HB ' ' A' ' 58' ' ' THR . 95.8 mt -67.9 -42.94 80.36 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.773 0.829 . . . . 73.22 112.371 173.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.6 mp -58.08 -36.38 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 123.03 0.532 . . . . 74.31 110.737 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.9 mtpt -62.58 -42.84 99.8 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.714 0.805 . . . . 73.21 111.748 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 41' ' ' LEU . 31.2 t -61.66 -49.75 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.078 0.951 . . . . 75.41 111.198 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' HH ' ' HA ' ' A' ' 57' ' ' ARG . 89.9 m-85 -72.67 -22.4 60.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.775 0.43 . . . . 74.32 111.997 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.01 73.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.376 0.67 . . . . 75.42 110.714 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.97 -40.64 68.47 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.472 -0.785 . . . . 74.34 110.333 172.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD22 ' HB2' ' A' ' 49' ' ' LYS . 85.1 mt -68.02 -24.37 65.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 74.22 112.213 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -168.34 138.65 5.24 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.395 0.434 . . . . 60.3 112.215 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -82.28 72.97 9.35 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.065 0.936 . . . . 65.11 108.78 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -145.53 169.1 19.05 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.121 1.368 . . . . 74.23 108.645 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.07 144.8 56.48 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.931 0.492 . . . . 60.44 109.761 170.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.401 ' HB ' HG13 ' A' ' 76' ' ' ILE . 20.8 mm -119.84 138.05 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 108.734 -0.839 . . . . 74.24 108.734 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -93.37 141.46 28.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.873 0.869 . . . . 74.44 109.844 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.423 ' HB ' HD11 ' A' ' 76' ' ' ILE . 2.7 p -121.58 130.59 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.896 0.878 . . . . 72.42 108.872 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.7 m -129.46 104.75 7.66 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.203 -0.666 . . . . 71.52 109.203 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -78.2 109.59 12.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.852 -0.796 . . . . 72.42 108.852 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.17 -6.55 59.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.205 0.602 . . . . 64.21 110.72 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.13 -104.39 0.77 Allowed Glycine 0 C--N 1.349 1.292 0 N-CA-C 111.255 -0.738 . . . . 74.2 111.255 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.56 0.72 25.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.951 0.9 . . . . 75.32 112.144 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.9 m -141.99 130.18 22.16 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.014 -1.106 . . . . 74.14 108.014 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 59' ' ' SER . 17.6 m -92.78 144.33 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.596 0.758 . . . . 74.33 108.983 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.8 m -136.32 106.63 6.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.258 0.623 . . . . 73.41 109.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 44.5 t -104.35 138.96 26.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 123.624 0.77 . . . . 71.43 110.628 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -123.99 135.04 53.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.265 1.426 . . . . 71.51 108.715 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.1 101.53 2.27 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 110.818 -0.913 . . . . 71.2 110.818 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -74.63 169.29 18.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.432 0.693 . . . . 74.42 112.041 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.45 150.44 46.5 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 114.928 -1.033 . . . . 70.41 110.883 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 67.08 5.57 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.884 -1.053 . . . . 72.31 109.778 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.78 4.48 85.77 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-N 115.054 -0.976 . . . . 65.42 113.077 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -99.48 143.06 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.814 0.846 . . . . 74.32 110.095 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 108.72 -0.844 . . . . 74.54 108.72 177.765 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' ND1' ' A' ' 2' ' ' HIS . 17.4 tmm? . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 108.821 -0.807 . . . . 75.12 108.821 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.417 ' ND1' ' SD ' ' A' ' 1' ' ' MET . 29.2 m80 -145.57 132.0 19.69 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 109.144 -0.687 . . . . 73.44 109.144 169.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -139.74 102.31 4.4 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.917 -0.771 . . . . 74.31 108.917 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -157.16 151.75 25.44 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.583 0.753 . . . . 73.34 109.594 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -129.41 152.33 49.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.326 0.65 . . . . 72.31 110.431 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -97.08 125.31 41.47 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.783 0.833 . . . . 73.0 110.049 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -147.73 177.11 9.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.251 0.62 . . . . 73.44 110.758 -177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -129.85 105.19 7.84 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.12 0.568 . . . . 74.13 110.852 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -73.33 109.17 6.65 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.966 -1.124 . . . . 73.35 107.966 170.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.89 75.86 1.3 Allowed Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.331 -1.508 . . . . 75.44 109.331 -166.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.57 147.99 52.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.331 1.053 . . . . 73.24 111.036 -173.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -76.19 103.54 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.37 -0.832 . . . . 74.52 109.864 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.3 118.81 37.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.897 0.479 . . . . 74.31 110.273 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -92.97 127.35 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.346 1.059 . . . . 74.33 108.96 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.522 ' HG2' HG22 ' A' ' 28' ' ' THR . 46.5 mt-30 -133.51 109.8 9.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.479 0.712 . . . . 75.24 109.798 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.638 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 t-20 -104.48 122.43 45.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 110.002 -0.37 . . . . 73.51 110.002 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.31 123.61 47.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.598 -0.89 . . . . 71.04 108.598 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.635 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 6.0 p30 -113.2 123.57 50.51 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 108.95 -0.759 . . . . 74.01 108.95 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.618 ' HB ' ' HB3' ' A' ' 55' ' ' ARG . 36.2 m -95.18 110.48 22.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 123.622 0.769 . . . . 75.03 109.846 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.26 166.94 0.59 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.454 1.502 . . . . 71.33 109.343 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -72.47 92.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 121.178 0.513 . . . . 71.24 109.928 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.29 178.9 41.19 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.061 -0.972 . . . . 72.23 111.383 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -133.42 5.54 3.76 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.475 0.71 . . . . 73.42 110.343 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -83.27 98.77 9.59 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.704 -0.622 . . . . 65.05 110.252 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.69 23.17 12.18 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.593 1.157 . . . . 74.13 109.875 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.53 6.41 5.84 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.808 1.243 . . . . 75.34 111.96 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.638 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 40.5 m-85 -74.04 1.75 10.31 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.023 1.329 . . . . 72.32 112.204 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.522 HG22 ' HG2' ' A' ' 15' ' ' GLN . 60.9 m -94.49 119.63 33.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.711 0.805 . . . . 74.11 110.955 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -131.85 158.7 40.64 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.351 1.06 . . . . 75.54 109.34 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -130.41 111.57 12.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.367 0.667 . . . . 74.1 109.772 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.36 143.64 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.816 0.846 . . . . 74.33 110.05 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -98.05 -4.69 35.45 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 122.015 -0.428 . . . . 74.15 111.12 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.3 m -123.1 137.97 54.78 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.249 0.62 . . . . 71.4 110.269 -176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.29 -30.74 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.341 1.056 . . . . 72.4 111.181 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.4 m -58.58 -54.69 44.21 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.523 0.729 . . . . 73.2 110.322 174.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -67.03 -21.82 65.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.346 -0.843 . . . . 75.34 112.344 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.495 HD22 HG22 ' A' ' 74' ' ' ILE . 1.7 tt -63.6 -51.0 67.17 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.653 0.781 . . . . 73.01 108.899 170.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -63.7 -34.01 76.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.874 0.87 . . . . 74.24 111.896 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -63.14 -60.01 4.0 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.719 -0.474 . . . . 72.11 109.719 172.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.09 -23.07 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 71.44 112.293 -166.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD13 HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.21 -41.66 63.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.432 0.693 . . . . 74.12 110.665 175.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.7 -27.25 61.96 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.198 -0.91 . . . . 75.12 110.048 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -75.66 -40.62 55.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.044 0.538 . . . . 75.51 110.137 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 tp -70.27 -23.49 62.89 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.966 -0.561 . . . . 72.2 110.655 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG3' HD23 ' A' ' 82' ' ' LEU . 37.9 ttpt -54.42 -39.42 67.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.21 1.004 . . . . 74.54 111.383 174.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.09 -44.11 87.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.86 0.864 . . . . 73.21 111.062 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -66.63 -54.87 18.66 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.349 0.66 . . . . 74.35 110.765 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -58.75 -40.44 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 124.065 0.946 . . . . 74.01 111.537 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -69.15 -47.47 64.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.62 1.168 . . . . 73.51 111.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -82.06 -20.62 37.87 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.658 -1.156 . . . . 74.42 111.483 -172.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -76.36 122.03 23.87 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.424 -0.584 . . . . 73.14 109.424 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.16 77.22 0.86 Allowed Glycine 0 C--N 1.349 1.258 0 N-CA-C 111.125 -0.79 . . . . 74.21 111.125 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 18' ' ' ASN . 8.1 t -136.89 135.92 38.22 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.494 0.718 . . . . 71.44 109.609 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -75.39 -65.37 0.9 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.226 0.61 . . . . 73.05 111.186 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' HB3' ' HB ' ' A' ' 19' ' ' THR . 23.3 tpp180 -97.96 134.05 41.6 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.287 0.635 . . . . 74.15 109.771 -172.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 t -139.55 127.75 22.54 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.001 -0.74 . . . . 71.22 109.001 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -140.12 123.14 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.428 -0.582 . . . . 74.13 109.428 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -101.46 151.35 22.05 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.384 0.674 . . . . 74.24 110.422 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -142.22 119.43 11.46 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 108.384 -0.969 . . . . 71.34 108.384 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 HD12 HD23 ' A' ' 37' ' ' LEU . 34.3 mt -118.2 127.4 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 124.293 1.037 . . . . 72.5 110.366 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 85.0 m -60.33 124.15 19.43 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.543 0.737 . . . . 75.11 110.79 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.06 102.68 6.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.391 1.077 . . . . 61.1 109.43 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -58.47 -34.56 71.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.199 0.6 . . . . 75.34 112.242 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -128.35 166.9 17.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.192 0.997 . . . . 73.13 109.797 174.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.076 -0.511 . . . . 74.43 110.153 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -50.97 -47.28 61.34 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.139 1.376 . . . . 70.13 110.325 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -67.09 -47.62 70.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.558 -0.746 . . . . 73.12 110.404 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.32 71.14 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.372 1.045 . . . . 70.11 112.853 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 42.1 mt-10 -76.46 -44.6 34.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.617 0.767 . . . . 73.13 111.862 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -78.63 -23.61 45.73 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.395 0.517 . . . . 73.45 112.395 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -90.52 -19.43 23.81 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.926 0.49 . . . . 74.15 111.773 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' ' 96' ' ' VAL . . . -60.61 -43.89 96.92 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 108.773 -0.825 . . . . 64.13 108.773 164.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.41 72.92 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.077 -0.965 . . . . 73.34 112.001 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.495 HG22 HD22 ' A' ' 37' ' ' LEU . 58.6 mt -62.5 -42.13 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.337 0.655 . . . . 72.34 110.759 173.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 HD23 HD11 ' A' ' 60' ' ' ILE . 98.3 mt -74.6 -35.7 62.97 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.737 -0.665 . . . . 74.21 112.188 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.596 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -66.9 -36.97 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.158 0.583 . . . . 74.12 109.731 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.85 -48.12 82.0 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.846 0.858 . . . . 75.12 111.373 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG23 HD13 ' A' ' 41' ' ' LEU . 58.4 t -71.17 -42.09 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.782 -1.099 . . . . 73.21 111.626 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -75.95 -18.52 59.3 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.248 0.619 . . . . 73.22 112.261 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.13 -29.63 63.03 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.994 0.518 . . . . 75.22 110.638 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.34 -32.78 64.75 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.413 -0.812 . . . . 71.52 110.241 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.413 HD23 ' HG3' ' A' ' 45' ' ' LYS . 60.5 mt -77.39 -26.23 51.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.639 -0.71 . . . . 74.11 111.282 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.89 126.36 1.44 Allowed Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.186 -1.166 . . . . 64.33 110.186 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.86 69.95 4.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.585 0.754 . . . . 74.04 109.777 -173.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -139.13 163.55 32.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.855 1.262 . . . . 70.3 108.428 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 145.47 49.61 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.912 -0.773 . . . . 74.02 108.912 168.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.614 ' HA ' ' HB3' ' A' ' 101' ' ' GLN . 14.2 mm -114.17 147.62 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 N-CA-C 109.646 -0.502 . . . . 73.3 109.646 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -88.3 121.34 30.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.433 0.693 . . . . 74.22 109.773 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.479 HG22 HD11 ' A' ' 76' ' ' ILE . 15.8 t -107.96 131.42 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.058 0.543 . . . . 74.22 110.196 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -119.34 107.79 13.8 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.35 -0.981 . . . . 75.21 108.35 169.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.469 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 19.6 m-90 -81.21 100.08 8.92 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.561 -0.904 . . . . 72.35 108.561 173.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 95' ' ' THR . 22.0 t70 -73.95 -44.93 53.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.238 0.615 . . . . 74.53 110.565 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.11 -82.0 0.21 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.649 -0.581 . . . . 61.2 111.649 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.63 -10.41 59.51 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.217 0.607 . . . . 70.41 110.932 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 69.3 m -145.29 143.99 30.51 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.019 1.328 . . . . 73.22 108.38 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 72' ' ' ALA . 7.1 p -97.43 139.49 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 108.382 -0.97 . . . . 72.51 108.382 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -129.53 104.1 7.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.838 -0.801 . . . . 74.21 108.838 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.45 135.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.294 0.638 . . . . 74.14 109.899 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -118.44 139.57 51.21 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 124.45 1.1 . . . . 71.21 108.318 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -65.65 94.12 0.19 Allowed Glycine 0 C--N 1.352 1.433 0 O-C-N 123.988 0.805 . . . . 74.33 113.091 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.614 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . 5.5 tp-100 -74.94 108.45 7.68 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.667 0.787 . . . . 74.5 110.301 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -99.37 115.63 29.68 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 107.192 -1.41 . . . . 75.2 107.192 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -96.97 128.87 44.36 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 108.679 -0.86 . . . . 63.01 108.679 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.53 23.66 0.02 OUTLIER Glycine 0 C--N 1.339 0.74 0 O-C-N 123.583 0.552 . . . . 72.34 113.367 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 m -89.23 65.32 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.36 1.076 . . . . 73.4 109.737 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.252 1.207 0 CA-C-N 114.438 -1.255 . . . . 72.13 109.161 -175.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 109.827 -0.434 . . . . 71.03 109.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.62 77.86 5.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.55 0.69 . . . . 72.23 109.219 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -144.37 133.38 22.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.213 1.005 . . . . 71.43 108.437 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -79.55 77.84 6.12 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.1 -1.074 . . . . 73.12 108.1 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -81.4 90.1 6.16 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.046 -0.724 . . . . 74.21 109.046 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -69.43 125.97 28.32 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.266 -0.425 . . . . 74.42 109.932 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -165.43 138.36 4.4 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.219 -1.03 . . . . 74.03 108.219 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.42 103.45 0.31 Allowed 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.191 0.596 . . . . 74.42 109.974 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.7 m -66.79 97.22 0.45 Allowed 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.126 -0.943 . . . . 74.04 110.222 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.37 131.44 51.4 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.122 -0.945 . . . . 73.23 110.952 172.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -59.92 156.83 13.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.998 0.919 . . . . 64.24 112.254 -170.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -79.63 104.18 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.279 -0.873 . . . . 73.43 110.458 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -94.85 132.63 39.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.815 -0.809 . . . . 75.12 108.815 169.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.2 t -118.57 130.05 73.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 C-N-CA 124.818 1.247 . . . . 72.51 107.954 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.75 144.83 50.04 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.388 -0.967 . . . . 74.03 108.388 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.5 t-20 -140.28 128.61 22.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.686 0.394 . . . . 73.53 110.087 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.449 ' O ' ' HA ' ' A' ' 56' ' ' SER . 15.3 m120 -107.61 112.93 25.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.741 1.216 . . . . 73.32 108.997 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -99.97 146.76 26.33 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.594 0.358 . . . . 41.43 110.856 -175.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -95.94 157.16 16.02 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 107.932 -1.136 . . . . 75.35 107.932 164.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.8 m 56.95 45.84 20.58 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.744 0.818 . . . . 70.54 111.087 -167.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -95.12 132.01 40.5 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.003 -0.74 . . . . 75.43 109.003 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.69 -63.01 0.06 OUTLIER Glycine 0 C--N 1.341 0.852 0 N-CA-C 111.508 -0.637 . . . . 73.24 111.508 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -149.89 105.89 3.45 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.445 0.698 . . . . 75.33 109.372 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -155.94 -177.49 6.61 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 124.93 1.292 . . . . 72.32 108.198 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -83.28 170.96 14.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.955 0.502 . . . . 75.05 109.751 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -84.28 126.08 32.85 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.009 0.524 . . . . 74.25 110.434 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.473 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.7 m-85 -81.87 13.45 3.27 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.505 1.122 . . . . 73.03 112.351 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 17.3 m -85.84 126.0 33.71 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.441 -0.577 . . . . 64.43 109.441 172.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -123.37 155.75 36.74 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.686 0.794 . . . . 73.42 109.84 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.59 105.56 7.62 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.333 -0.988 . . . . 65.41 108.333 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.95 144.98 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 108.657 -0.868 . . . . 73.21 108.657 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -98.08 -31.51 12.09 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.062 0.458 . . . . 72.4 110.069 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.579 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 22.6 m -99.47 139.99 34.32 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 73.41 109.444 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 36.7 mt-10 -66.98 -28.16 68.03 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.71 0.804 . . . . 53.45 111.328 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.464 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 33.6 t -64.23 -45.67 87.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.872 0.869 . . . . 75.2 110.685 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.579 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 51.7 mt-10 -57.85 -27.95 63.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.708 0.803 . . . . 73.34 111.139 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' HA ' HG12 ' A' ' 40' ' ' VAL . 27.4 tp -70.87 -36.93 73.03 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.686 -0.688 . . . . 74.1 111.387 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.16 -32.94 73.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 63.22 110.127 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -73.46 -47.62 39.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.187 0.995 . . . . 75.22 111.091 177.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.7 p -65.87 -42.01 91.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 119.127 -0.463 . . . . 70.23 110.657 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 HG22 ' A' ' 78' ' ' VAL . 3.1 mm? -64.8 -29.25 70.21 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.453 0.301 . . . . 75.12 111.806 177.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.55 -50.99 67.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.271 0.628 . . . . 70.2 110.581 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.46 -29.82 27.73 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.279 0.474 . . . . 65.1 112.279 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -69.66 -32.9 71.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.219 0.607 . . . . 73.35 109.819 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG3' HG11 ' A' ' 78' ' ' VAL . 36.1 ttpt -49.94 -37.1 30.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.037 1.335 . . . . 74.11 112.082 175.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.16 -43.37 91.99 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.813 0.845 . . . . 72.0 111.088 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -72.88 -34.23 66.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.43 0.692 . . . . 73.13 110.486 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 56' ' ' SER . 79.6 mt -68.94 -30.33 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 125.427 1.491 . . . . 75.35 110.432 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -85.22 -31.5 23.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.963 0.905 . . . . 74.42 110.303 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.28 -46.42 77.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.311 1.044 . . . . 75.35 109.868 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -101.04 -163.59 1.03 Allowed 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.04 -0.982 . . . . 72.3 108.925 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.96 59.76 6.2 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-O 119.84 -0.422 . . . . 63.33 113.178 176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -55.63 -51.43 67.23 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.662 0.785 . . . . 64.45 111.913 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -81.21 -65.75 0.97 Allowed 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 73.01 108.678 172.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.72 165.89 35.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.561 0.696 . . . . 75.33 111.577 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.596 ' HB2' HG22 ' A' ' 48' ' ' ILE . 50.0 m -133.4 119.66 19.93 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.24 -1.393 . . . . 71.43 107.24 166.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -98.91 122.91 42.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.568 0.747 . . . . 72.52 110.844 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 m -102.25 143.29 32.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.223 0.609 . . . . 74.34 109.573 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -141.42 119.97 12.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.672 -1.233 . . . . 72.52 107.672 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.5 mt -124.91 139.28 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.048 0.939 . . . . 74.34 110.452 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -56.56 130.52 45.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.218 1.007 . . . . 74.14 111.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.07 133.45 35.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.031 0.932 . . . . 63.41 108.847 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -94.17 -40.48 10.01 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.865 -0.522 . . . . 73.43 110.975 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.435 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 67.9 p -122.61 171.46 9.12 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.893 0.877 . . . . 75.42 108.968 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -64.36 -30.09 71.15 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.453 0.301 . . . . 70.14 110.571 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -67.31 -31.31 71.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.49 0.716 . . . . 74.34 110.308 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 6.9 mm-40 -73.81 -40.07 63.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.685 0.755 . . . . 73.11 110.065 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB2' ' HD1' ' A' ' 91' ' ' TRP . . . -66.63 -38.07 86.14 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.581 -1.19 . . . . 63.32 111.964 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.04 -32.46 30.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.654 0.382 . . . . 74.13 111.642 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 64.6 pttt -69.26 -36.17 76.84 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.767 0.318 . . . . 70.45 110.207 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 17.1 m-30 -88.29 -17.23 31.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.214 0.605 . . . . 74.43 112.624 177.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 91' ' ' TRP . . . -58.42 -43.12 88.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.204 -0.665 . . . . 74.23 109.204 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.7 80.26 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.081 0.863 . . . . 73.0 111.936 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.83 -36.79 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.148 0.979 . . . . 72.44 111.051 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.11 -45.02 15.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.865 0.466 . . . . 75.04 111.334 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.17 -32.8 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.819 0.848 . . . . 74.31 111.074 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.32 86.46 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.586 0.754 . . . . 75.55 111.289 174.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.507 HG22 HD12 ' A' ' 41' ' ' LEU . 37.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.851 0.861 . . . . 62.55 110.823 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.63 -29.07 69.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.813 0.845 . . . . 74.43 111.549 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.123 0.569 . . . . 62.04 110.879 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.99 -26.88 62.42 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.576 -0.738 . . . . 73.42 111.253 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 51.1 mt -73.95 -30.11 62.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.944 -0.391 . . . . 73.43 109.944 174.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 48.79 50.68 25.63 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 124.624 1.107 . . . . 63.02 115.596 170.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.7 -60.28 2.83 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 117.249 0.525 . . . . 72.32 109.952 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.28 -75.99 0.1 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.055 -0.72 . . . . 74.22 109.055 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -134.69 171.31 14.53 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.664 0.786 . . . . 74.1 109.018 -176.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.1 mm -108.7 124.45 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.327 0.651 . . . . 71.33 109.639 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.474 ' HB2' ' HB2' ' A' ' 101' ' ' GLN . 46.9 t30 -98.68 112.15 24.3 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.795 -0.817 . . . . 71.5 108.795 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.2 p -108.35 138.94 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.715 -0.846 . . . . 72.15 108.715 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.6 m -144.46 125.2 14.17 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.808 0.843 . . . . 72.44 108.859 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.468 ' HD1' ' HB2' ' A' ' 68' ' ' ALA . 12.4 m-90 -99.95 106.84 18.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.451 0.7 . . . . 73.33 109.24 177.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.2 -24.05 65.81 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.667 0.787 . . . . 74.33 110.397 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.46 -61.62 0.31 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.985 -1.246 . . . . 73.11 109.985 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.89 -11.75 54.93 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.836 -0.682 . . . . 74.54 110.591 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 m -146.11 145.59 30.58 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.569 0.748 . . . . 71.13 109.542 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.71 133.28 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 108.747 -0.835 . . . . 74.31 108.747 166.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 m -135.02 121.07 19.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.115 0.566 . . . . 75.11 110.074 -174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.6 143.91 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.755 0.822 . . . . 74.12 109.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.4 168.27 24.63 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.617 1.167 . . . . 73.52 108.501 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.05 121.09 6.11 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-O 119.961 -0.355 . . . . 71.42 112.988 -177.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.474 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . 5.2 tp-100 -99.93 139.17 35.98 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.468 0.634 . . . . 74.1 109.74 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.0 tt -107.99 103.83 13.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.393 -1.706 . . . . 71.41 106.393 168.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.07 -160.89 1.16 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.824 0.849 . . . . 75.52 109.766 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.63 26.24 6.91 Favored Glycine 0 C--N 1.347 1.178 0 C-N-CA 123.013 0.34 . . . . 62.42 112.283 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.41 96.23 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 109.246 -0.65 . . . . 73.44 109.246 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 123.887 0.875 . . . . 72.0 109.124 -178.729 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 CA--C 1.55 0.964 0 CA-C-O 120.959 0.409 . . . . 75.41 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -76.56 78.42 3.25 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.492 0.663 . . . . 71.34 110.254 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -160.67 153.03 20.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.32 -1.363 . . . . 72.14 107.32 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -67.92 91.7 0.34 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.326 0.584 . . . . 61.44 110.675 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -110.17 144.4 38.87 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.767 -1.106 . . . . 73.23 109.462 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -134.97 122.71 22.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.391 0.677 . . . . 71.14 109.617 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -94.64 167.24 11.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.717 0.807 . . . . 64.41 109.909 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.16 -39.17 91.75 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.637 0.775 . . . . 74.35 109.35 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -71.91 110.52 6.47 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.279 -0.873 . . . . 74.44 109.958 171.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' HA3' ' HD3' ' A' ' 63' ' ' ARG . . . -115.68 86.45 0.41 Allowed Glycine 0 N--CA 1.467 0.737 0 N-CA-C 109.673 -1.371 . . . . 73.12 109.673 175.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 145.96 54.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.571 0.748 . . . . 74.34 112.227 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' HG21 ' A' ' 31' ' ' VAL . 30.1 mt -78.2 103.45 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 114.301 -1.318 . . . . 73.33 109.374 -171.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -91.84 122.73 34.64 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 108.191 -1.04 . . . . 64.02 108.191 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 28' ' ' THR . 43.5 t -116.84 104.73 17.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 108.64 -0.874 . . . . 74.44 108.64 -175.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.0 108.2 18.84 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.981 -0.748 . . . . 75.13 108.981 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -102.82 109.98 21.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.324 -1.362 . . . . 74.35 107.324 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -103.74 118.28 36.34 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.523 -0.917 . . . . 74.31 108.523 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -99.94 120.01 39.13 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.603 0.761 . . . . 73.44 109.531 -168.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -92.31 109.48 20.86 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.01 -1.478 . . . . 71.33 107.01 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.701 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -131.92 134.88 46.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.297 0.639 . . . . 74.14 110.491 -165.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.47 -32.12 71.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.176 0.59 . . . . 74.31 109.836 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.42 -139.62 10.01 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.067 -0.97 . . . . 73.33 111.646 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -69.15 124.27 23.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.75 0.82 . . . . 75.32 111.201 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.0 p -98.22 153.75 18.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.376 1.07 . . . . 74.24 110.9 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -150.92 173.59 14.1 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.995 1.318 . . . . 73.01 109.646 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -124.36 114.92 20.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.177 -1.416 . . . . 73.14 107.177 162.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -81.35 85.5 6.42 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.986 0.515 . . . . 70.43 109.881 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 36.9 m -93.65 124.48 37.68 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.256 175.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.51 164.0 16.44 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 124.711 1.205 . . . . 75.24 108.612 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.2 m -127.94 104.79 8.0 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG23 ' HB2' ' A' ' 37' ' ' LEU . 29.0 m -109.35 157.19 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 108.696 -0.853 . . . . 72.02 108.696 173.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.0 t -114.99 -9.41 12.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.303 0.641 . . . . 65.43 109.932 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.2 m -141.71 150.28 41.63 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 124.106 0.963 . . . . 62.12 109.924 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.7 -33.51 72.63 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.719 1.208 . . . . 73.1 111.805 -175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 p -58.96 -49.41 77.96 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.516 0.51 . . . . 63.11 110.028 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.36 -40.37 96.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.054 -0.975 . . . . 74.33 110.507 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' HB2' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.44 -47.51 81.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.576 1.15 . . . . 74.5 112.047 177.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.25 -31.38 70.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.063 0.545 . . . . 75.4 111.266 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -70.42 -37.4 74.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.691 -0.485 . . . . 74.33 109.691 173.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.2 t -61.34 -39.19 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 O-C-N 123.724 0.64 . . . . 71.2 109.874 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 78' ' ' VAL . 2.9 mm? -68.36 -32.99 73.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.221 0.608 . . . . 73.32 111.947 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.36 -47.97 74.58 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.551 0.74 . . . . 75.04 110.788 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.05 -39.65 65.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.914 -0.585 . . . . 73.41 110.73 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.69 -38.8 91.82 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.51 1.124 . . . . 74.12 110.808 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.7 ttpt -49.08 -44.26 41.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.15 1.38 . . . . 75.42 111.429 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.98 -45.21 82.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.636 -1.165 . . . . 72.01 110.718 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -63.07 -54.93 30.34 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.362 0.665 . . . . 72.24 111.825 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -44.79 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.402 1.081 . . . . 75.54 111.128 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' HB2' HD21 ' A' ' 82' ' ' LEU . 80.9 tttt -68.56 -40.5 80.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.268 -0.878 . . . . 73.14 110.918 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.43 -44.29 71.64 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.86 0.864 . . . . 73.13 111.08 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -62.76 147.48 49.65 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.857 0.723 . . . . 73.44 110.385 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.16 69.5 1.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 111.147 -0.781 . . . . 65.1 111.147 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.701 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 59.8 m -124.5 135.53 53.28 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.836 1.254 . . . . 74.31 109.14 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HB3' HD13 ' A' ' 102' ' ' LEU . 49.8 mtmt -67.34 -52.74 36.51 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.051 0.844 . . . . 75.03 109.325 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 167.91 28.73 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.792 -0.64 . . . . 74.11 110.513 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.6 p -124.66 157.5 35.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.923 0.889 . . . . 54.44 109.509 173.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -127.77 109.95 12.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.785 0.834 . . . . 72.2 109.265 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.5 m -93.65 134.68 35.7 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.326 -0.62 . . . . 75.13 109.326 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 m -126.52 119.54 27.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.105 -1.072 . . . . 74.2 108.105 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.507 HG23 ' CD2' ' A' ' 71' ' ' PHE . 63.0 mt -121.2 134.16 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.786 0.834 . . . . 64.15 109.816 -173.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -59.7 122.1 13.3 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.0 0.812 . . . . 75.4 110.889 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.09 99.95 5.25 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.502 1.121 . . . . 74.0 108.414 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HD3' ' HA3' ' A' ' 10' ' ' GLY . 68.8 mtm180 -86.18 -41.67 14.49 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.117 0.967 . . . . 73.11 109.401 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.6 p -104.31 155.23 18.93 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 114.9 -1.046 . . . . 73.3 109.646 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.25 -27.26 68.93 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.891 -0.595 . . . . 74.34 110.65 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 59.0 mmtt -64.21 -38.28 90.47 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 123.531 0.519 . . . . 72.23 111.608 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.98 -47.43 77.6 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.529 0.518 . . . . 71.34 109.744 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.56 -37.5 70.63 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 115.75 -0.659 . . . . 72.31 111.936 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -73.3 -59.55 2.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.098 0.959 . . . . 73.24 111.165 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 71' ' ' PHE . 57.0 pttt -68.27 -38.81 82.1 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.119 -0.491 . . . . 75.43 112.144 -169.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.507 ' CD2' HG23 ' A' ' 60' ' ' ILE . 35.9 m-85 -68.28 -33.03 73.61 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.502 0.321 . . . . 74.2 110.804 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -58.38 -44.02 88.74 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 123.557 0.536 . . . . 72.54 110.403 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -60.92 -48.08 83.48 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.957 0.786 . . . . 74.55 110.881 176.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.02 -36.85 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.724 1.21 . . . . 72.42 111.174 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.9 mt -74.37 -46.42 40.65 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.17 0.588 . . . . 75.24 111.124 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.638 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -57.48 -37.72 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 123.461 0.704 . . . . 73.5 111.237 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 61.6 mtpt -61.36 -48.78 79.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.657 0.783 . . . . 71.0 110.99 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 41' ' ' LEU . 76.7 t -69.56 -42.26 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.014 0.925 . . . . 64.33 111.24 -177.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -69.34 -25.17 64.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.621 0.768 . . . . 73.15 112.082 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.21 77.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.186 0.595 . . . . 62.3 110.384 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.02 -25.54 64.54 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.346 -0.843 . . . . 64.32 111.158 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 49' ' ' LYS . 43.4 mt -96.08 -26.0 15.68 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.831 0.853 . . . . 73.43 111.893 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -114.68 -80.26 0.9 Allowed Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.958 -0.857 . . . . 63.54 110.958 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -171.37 -66.15 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.989 0.916 . . . . 75.33 109.087 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -176.32 -39.54 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.144 0.977 . . . . 75.33 108.83 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.17 92.53 1.75 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.093 -0.958 . . . . 55.22 109.888 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.37 146.31 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.619 0.767 . . . . 75.31 109.546 -177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -87.57 110.72 20.57 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.359 -0.608 . . . . 61.05 109.359 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.638 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.1 p -105.91 126.96 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.529 -0.915 . . . . 73.13 108.529 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.5 m -141.14 113.26 7.91 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.012 -0.736 . . . . 73.5 109.012 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -80.43 105.12 11.44 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 109.433 -0.58 . . . . 73.32 109.433 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.96 -27.09 68.9 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.054 0.942 . . . . 75.4 111.484 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.8 -80.24 0.33 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.232 -1.147 . . . . 74.53 110.232 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.1 -9.03 58.28 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.094 0.558 . . . . 74.04 110.836 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -142.43 144.7 33.19 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.425 1.09 . . . . 73.11 108.925 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -98.26 131.78 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 108.436 -0.95 . . . . 74.52 108.436 166.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.8 m -122.97 129.59 51.74 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.671 0.788 . . . . 63.32 109.716 -177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.42 130.58 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.972 . . . . 75.44 108.776 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -132.94 143.53 49.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.082 0.953 . . . . 73.42 109.695 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.57 153.83 44.81 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 111.85 -0.5 . . . . 75.33 111.85 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.56 135.35 54.0 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.014 0.526 . . . . 70.35 110.436 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 54' ' ' LYS . 3.1 mm? -77.31 104.26 7.72 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.29 -1.004 . . . . 74.42 108.29 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.26 145.34 50.81 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.399 0.68 . . . . 72.14 110.235 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.8 54.87 0.36 Allowed Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.775 -0.53 . . . . 75.41 111.775 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.81 122.17 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 C-N-CA 123.185 0.594 . . . . 73.01 110.102 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.25 1.13 0 N-CA-C 108.359 -0.978 . . . . 73.44 108.359 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.505 -0.554 . . . . 75.12 109.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.5 t60 58.3 42.1 22.23 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.7 1.2 . . . . 60.44 111.291 175.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -112.2 2.39 16.63 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.693 0.797 . . . . 72.25 111.325 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.07 -33.04 74.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.328 0.651 . . . . 75.31 111.516 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -70.83 135.84 48.34 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.132 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -113.27 134.05 54.79 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.096 0.558 . . . . 75.42 110.646 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -147.34 -27.15 0.38 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.672 0.789 . . . . 74.43 109.728 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -63.05 -50.68 69.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.595 0.758 . . . . 73.22 109.388 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.492 ' HA ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 t -153.86 168.71 25.43 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.993 -1.003 . . . . 72.44 108.986 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.33 -177.81 23.37 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 111.287 -0.725 . . . . 63.43 111.287 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.2 120.07 17.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.044 -0.724 . . . . 74.12 109.044 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.22 105.26 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 115.766 -0.652 . . . . 75.01 110.281 -172.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -85.37 111.28 19.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.88 0.872 . . . . 73.42 109.202 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -92.14 108.75 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 107.984 -1.117 . . . . 72.15 107.984 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -101.94 111.26 23.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.757 0.823 . . . . 75.31 109.969 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.65 114.43 28.69 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.539 -0.912 . . . . 73.43 108.539 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . 26.4 t-20 -103.02 125.16 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.774 0.83 . . . . 74.01 109.033 174.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -143.77 123.06 13.03 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.198 -1.038 . . . . 74.12 108.198 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.597 ' H ' ' HB3' ' A' ' 55' ' ' ARG . 18.0 m -130.96 113.18 13.67 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.407 -0.96 . . . . 73.45 108.407 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.06 -53.62 2.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.246 0.618 . . . . 73.21 110.399 -170.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -130.14 -71.37 0.6 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.137 0.975 . . . . 74.1 109.012 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.63 -86.13 0.09 OUTLIER Glycine 0 C--N 1.349 1.266 0 N-CA-C 111.292 -0.723 . . . . 72.35 111.292 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -76.11 141.44 41.96 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.931 0.492 . . . . 71.03 109.972 177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 t -165.62 164.64 19.14 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.807 -0.633 . . . . 74.34 110.083 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.13 111.2 19.91 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 123.66 0.784 . . . . 75.12 109.533 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.92 107.07 10.19 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.306 -0.998 . . . . 74.23 108.306 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -75.58 79.01 2.58 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.429 0.633 . . . . 72.15 110.123 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -86.58 129.14 34.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.446 -0.797 . . . . 74.14 110.183 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -111.97 149.58 31.77 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.947 0.899 . . . . 74.44 109.0 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.9 m -129.4 105.02 7.83 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.117 -1.068 . . . . 72.45 108.117 173.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.26 132.65 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.566 0.746 . . . . 74.25 109.671 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.9 t -88.89 -17.04 30.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.106 0.562 . . . . 75.51 110.566 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 m -129.32 144.36 51.2 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.86 0.864 . . . . 71.44 109.976 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.03 -24.42 67.48 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.394 1.078 . . . . 75.11 112.62 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.0 p -61.71 -52.54 63.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.775 0.43 . . . . 72.23 110.194 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.833 0.853 . . . . 75.24 111.609 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD23 HD12 ' A' ' 60' ' ' ILE . 2.4 tt -58.52 -47.01 85.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.993 0.917 . . . . 73.22 109.451 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -57.95 -47.63 82.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.237 -0.892 . . . . 65.2 109.837 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.67 -50.72 71.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.135 0.574 . . . . 75.53 111.272 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 41' ' ' LEU . 34.4 m -60.83 -24.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 N-CA-C 112.458 0.54 . . . . 71.12 112.458 -171.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.57 ' HG ' HG21 ' A' ' 74' ' ' ILE . 4.4 mm? -78.37 -36.43 46.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.031 0.532 . . . . 74.43 111.86 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -64.32 -41.54 96.76 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 110.002 -0.37 . . . . 74.31 110.002 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -70.96 -44.49 65.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.763 0.664 . . . . 65.53 109.641 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.01 -40.25 76.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.103 0.961 . . . . 73.0 111.822 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 36.3 ttpt -54.82 -37.39 66.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.052 0.845 . . . . 74.5 111.483 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.68 -47.92 81.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.683 0.793 . . . . 74.53 110.481 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -65.07 -41.98 94.6 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.859 0.724 . . . . 73.25 111.39 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.44 -41.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.291 0.636 . . . . 74.52 110.456 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -79.93 -19.98 46.78 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.735 0.414 . . . . 74.13 111.315 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -68.4 -42.57 78.83 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.355 0.598 . . . . 72.11 109.608 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -89.06 116.27 27.21 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.016 -0.993 . . . . 70.45 110.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.17 70.01 1.05 Allowed Glycine 0 N--CA 1.471 0.977 0 N-CA-C 111.391 -0.684 . . . . 53.31 111.391 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.7 157.18 16.29 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.719 0.808 . . . . 74.55 110.629 -168.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -94.94 -6.74 41.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.317 0.647 . . . . 75.43 111.461 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HB3' ' H ' ' A' ' 19' ' ' THR . 15.0 tpp180 -136.59 124.09 22.18 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.623 0.769 . . . . 74.23 109.03 175.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -125.06 108.78 12.17 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.066 -1.087 . . . . 74.44 108.066 170.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 37.5 ttm180 -133.9 132.73 40.63 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.556 -1.275 . . . . 74.22 107.556 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.4 m -140.64 145.19 36.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.665 -0.865 . . . . 70.2 108.665 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -145.17 157.1 44.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.932 0.893 . . . . 73.11 109.115 -168.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 HD12 HD23 ' A' ' 37' ' ' LEU . 81.1 mt -143.15 131.51 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.91 0.884 . . . . 73.1 109.24 -174.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 m -62.14 136.4 57.93 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 123.578 0.549 . . . . 64.44 110.804 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.17 103.75 4.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.045 0.938 . . . . 73.44 109.203 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.492 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 11.5 mmm180 -65.9 -28.25 68.8 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.011 0.434 . . . . 74.03 110.613 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -130.89 160.86 33.22 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.013 0.925 . . . . 70.45 109.375 172.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 31.9 ttpt -64.79 -30.06 71.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.608 0.363 . . . . 73.01 110.817 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -34.78 71.74 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 117.95 0.341 . . . . 73.05 110.576 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 42.0 mt-10 -68.86 -43.13 76.05 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.686 -0.688 . . . . 74.34 110.422 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.26 69.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.298 0.639 . . . . 52.34 112.215 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 8.4 mm-40 -78.55 -52.51 8.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.934 0.494 . . . . 73.32 111.101 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.494 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 59.3 pttt -67.29 -29.98 69.72 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.027 0.441 . . . . 74.24 111.335 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 19.6 m-30 -89.03 -17.73 28.77 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.396 0.678 . . . . 75.33 112.4 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.98 -43.82 82.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.036 -0.728 . . . . 74.14 109.036 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.89 74.99 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.14 -0.936 . . . . 64.33 112.032 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.57 HG21 ' HG ' ' A' ' 41' ' ' LEU . 63.1 mt -62.25 -38.09 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.918 0.887 . . . . 74.31 110.735 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.68 -39.93 56.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.183 0.593 . . . . 74.24 111.173 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.13 -35.57 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 123.858 0.863 . . . . 73.42 111.063 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -59.02 -33.25 70.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.514 0.726 . . . . 73.51 111.856 177.35 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 41' ' ' LEU . 91.9 t -72.98 -57.58 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.442 0.697 . . . . 72.02 110.411 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.83 -21.85 62.4 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.861 0.689 . . . . 73.13 112.861 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.67 74.24 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.926 0.491 . . . . 71.13 110.442 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 7.3 mm-40 -87.1 -18.15 31.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.414 0.685 . . . . 73.03 111.326 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.3 mt -87.59 -12.61 45.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.174 0.59 . . . . 72.24 111.476 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.46 -154.95 7.56 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 121.933 -0.175 . . . . 55.31 113.478 178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -97.48 -61.07 1.45 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.713 0.805 . . . . 74.51 109.357 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -145.36 44.31 1.31 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.889 1.328 . . . . 73.34 107.867 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.85 28.83 0.76 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.891 -1.504 . . . . 73.42 111.075 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.2 mm -84.79 119.76 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.224 -1.028 . . . . 74.34 108.224 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.1 t30 -124.37 104.15 8.61 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.859 -1.163 . . . . 74.14 107.859 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.56 139.12 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 109.524 -0.546 . . . . 73.23 109.524 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.7 m -146.05 129.22 16.62 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.804 1.242 . . . . 74.12 108.011 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.9 m-90 -102.58 112.09 24.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 71.23 109.443 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.66 0.47 55.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.889 0.876 . . . . 72.32 110.856 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.93 -78.63 1.0 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.874 -0.89 . . . . 63.31 110.874 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 -17.07 61.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.867 0.867 . . . . 63.4 111.275 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 m -145.55 146.23 31.32 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.877 0.871 . . . . 73.22 109.764 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.26 140.64 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.975 -0.75 . . . . 62.21 108.975 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.9 m -133.47 125.12 28.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.319 0.648 . . . . 64.2 110.26 -175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 88' ' ' ASN . 96.8 t -117.38 123.78 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 74.44 109.494 170.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -114.75 166.27 11.93 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.488 1.115 . . . . 75.33 108.607 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.8 130.89 10.48 Favored Glycine 0 C--N 1.346 1.126 0 CA-C-O 119.747 -0.474 . . . . 73.31 112.682 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.411 ' HG3' ' HB2' ' A' ' 88' ' ' ASN . 97.0 mt-30 -116.06 107.68 15.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.279 0.632 . . . . 72.02 109.311 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.17 103.93 12.13 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.687 -1.227 . . . . 73.04 107.687 173.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.01 120.73 22.52 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 108.483 -0.932 . . . . 73.04 108.483 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.78 90.86 0.25 Allowed Glycine 0 C--N 1.349 1.267 0 O-C-N 123.807 0.692 . . . . 75.25 112.205 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.6 153.59 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.888 0.875 . . . . 74.44 110.993 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.798 -0.62 . . . . 63.13 109.935 179.525 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 108.687 -0.857 . . . . 74.34 108.687 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -77.55 136.33 38.28 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.788 -0.819 . . . . 72.21 108.788 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -101.81 -173.78 2.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.263 0.625 . . . . 74.32 110.245 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 7' ' ' HIS . 21.2 m170 -64.73 141.41 58.78 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.499 -0.773 . . . . 75.44 109.101 171.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -70.36 -26.56 63.79 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.425 0.69 . . . . 74.42 111.377 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -79.27 -24.04 43.22 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.32 0.648 . . . . 75.0 110.505 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 4' ' ' HIS . 50.7 t60 -74.11 -9.95 59.13 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.515 0.726 . . . . 73.25 110.917 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -69.26 -5.36 22.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.115 0.566 . . . . 75.1 111.777 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -86.96 93.73 9.41 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.367 -0.975 . . . . 73.41 108.367 168.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.34 43.92 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.331 -0.395 . . . . 72.33 112.788 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.02 153.41 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.305 1.042 . . . . 54.11 111.927 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.577 HG23 HD21 ' A' ' 37' ' ' LEU . 55.7 mt -88.86 107.71 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 115.295 -0.866 . . . . 74.01 109.82 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.87 141.51 33.33 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.952 0.501 . . . . 75.34 110.182 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 47.8 t -128.28 127.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.122 0.969 . . . . 73.23 109.33 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -135.06 118.14 16.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.371 0.668 . . . . 71.2 110.509 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.75 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 25.3 t-20 -105.16 113.0 26.33 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.78 -1.193 . . . . 72.3 107.78 168.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.59 123.76 48.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.672 -0.862 . . . . 75.24 108.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 56' ' ' SER . 51.7 t-20 -136.2 116.6 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.439 -1.319 . . . . 72.43 107.439 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.5 m -93.62 109.58 21.2 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.074 -1.084 . . . . 75.53 108.074 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.4 t -171.74 107.48 0.23 Allowed 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.902 0.752 . . . . 73.22 108.973 -171.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -66.03 153.41 42.29 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.493 0.717 . . . . 64.21 110.128 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.21 -38.84 3.13 Favored Glycine 0 N--CA 1.471 1.005 0 N-CA-C 110.095 -1.202 . . . . 61.13 110.095 -167.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HB2' ' HZ1' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -165.5 99.46 0.7 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 75.22 109.047 170.171 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 p -97.0 62.79 1.86 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.915 0.886 . . . . 73.41 109.637 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -100.09 135.32 41.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.374 0.669 . . . . 75.42 110.684 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -95.83 123.34 39.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.136 0.974 . . . . 73.11 109.852 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.75 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.9 m-85 -90.65 80.69 5.93 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.438 0.637 . . . . 74.11 109.937 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 m -93.18 121.05 34.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.781 -1.099 . . . . 72.24 109.629 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' HH ' HD11 ' A' ' 44' ' ' LEU . 75.6 m-85 -132.62 155.97 47.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.74 0.816 . . . . 71.13 108.934 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.4 m -130.87 106.89 8.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.615 -1.254 . . . . 64.45 107.615 169.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' A' ' 12' ' ' ILE . 19.6 m -103.26 133.17 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.221 0.609 . . . . 75.35 109.477 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -86.7 -12.25 48.86 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.587 -0.733 . . . . 73.05 111.43 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.516 HG21 ' H ' ' A' ' 35' ' ' SER . 31.3 m -140.73 149.24 41.91 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.321 0.648 . . . . 72.34 110.014 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.98 -28.28 67.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.176 0.99 . . . . 73.22 110.628 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.516 ' H ' HG21 ' A' ' 33' ' ' THR . 11.5 m -64.26 -48.07 77.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.179 0.992 . . . . 74.1 110.131 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.35 -30.13 70.94 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.47 0.708 . . . . 74.35 110.851 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 12' ' ' ILE . 37.4 tp -67.74 -38.76 83.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.629 0.772 . . . . 72.52 111.142 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -64.77 -51.72 60.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.218 -0.66 . . . . 72.01 109.218 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -57.86 -46.24 85.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.677 1.191 . . . . 74.11 112.305 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.86 -35.36 69.07 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 CA-C-O 119.136 -0.459 . . . . 73.51 110.532 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD12 HG21 ' A' ' 78' ' ' VAL . 3.4 mm? -73.97 -29.65 62.1 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.022 0.529 . . . . 63.03 111.731 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.29 -47.74 84.26 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.65 0.593 . . . . 63.42 109.839 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.99 -32.72 39.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.531 0.52 . . . . 75.53 111.598 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 30.0 tp -61.33 -28.85 69.51 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.187 0.595 . . . . 74.31 110.758 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -46.38 -46.34 18.41 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.978 1.311 . . . . 74.24 112.654 173.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 31.2 t70 -65.25 -42.65 93.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.596 1.159 . . . . 70.42 110.956 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.442 ' HB2' HD12 ' A' ' 44' ' ' LEU . 96.1 m-85 -66.25 -44.38 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.078 0.951 . . . . 74.3 111.797 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.75 -40.05 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.717 1.207 . . . . 72.01 109.947 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -67.41 -29.0 68.38 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.969 0.907 . . . . 71.14 111.718 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 65.1 mttm -61.99 -44.11 97.43 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.322 0.649 . . . . 73.54 110.744 175.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -101.23 0.96 38.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.995 0.918 . . . . 75.44 111.707 -176.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.4 58.37 5.0 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 122.894 0.283 . . . . 63.2 112.872 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.37 -43.86 59.81 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.388 0.675 . . . . 51.14 110.603 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -113.06 -70.81 0.78 Allowed 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.432 0.693 . . . . 72.01 109.763 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -154.28 159.74 41.41 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.058 0.543 . . . . 74.11 110.881 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.454 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . 32.9 p -131.76 143.23 50.08 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.777 0.831 . . . . 72.13 108.935 172.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -120.82 110.13 15.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.382 1.073 . . . . 73.25 108.608 -175.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -107.43 118.25 36.24 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.731 -0.47 . . . . 72.44 109.731 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -109.71 120.47 42.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.901 0.881 . . . . 65.01 108.944 175.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.413 HD13 HD13 ' A' ' 37' ' ' LEU . 64.3 mt -112.59 127.83 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.835 -0.802 . . . . 74.13 108.835 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -66.73 101.57 0.82 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.138 0.575 . . . . 74.23 109.575 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -99.73 121.55 41.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.652 -1.24 . . . . 64.03 107.652 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.0 -30.38 69.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.839 -0.619 . . . . 74.41 112.56 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.406 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 69.3 p -131.61 170.96 14.03 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.891 . . . . 75.21 108.859 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -28.28 69.45 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.683 171.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.89 -44.67 91.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.369 1.067 . . . . 72.13 110.228 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.571 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.7 mm-40 -64.84 -42.33 95.0 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.757 -0.656 . . . . 74.33 110.081 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.48 -24.62 67.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.5 0.926 . . . . 71.54 113.5 -175.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.83 -48.81 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.31 0.644 . . . . 61.21 111.853 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 52.6 pttt -77.52 -25.42 50.22 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.997 -0.547 . . . . 71.03 111.036 -175.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 13.4 m-30 -86.0 -19.44 30.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.736 0.415 . . . . 74.21 110.993 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.451 ' O ' HD12 ' A' ' 76' ' ' ILE . . . -60.07 -46.03 90.91 Favored 'General case' 0 C--O 1.205 -1.289 0 N-CA-C 108.158 -1.052 . . . . 74.51 108.158 164.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.65 82.71 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.066 0.547 . . . . 75.43 112.355 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.405 HG23 ' HG ' ' A' ' 41' ' ' LEU . 48.2 mt -58.32 -49.25 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 123.923 0.889 . . . . 74.34 110.981 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.91 -40.76 68.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.541 0.736 . . . . 73.12 112.386 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.666 HD11 HG23 ' A' ' 89' ' ' VAL . 1.3 mp -63.53 -34.66 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.593 0.757 . . . . 74.34 110.371 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -47.29 86.34 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.379 0.672 . . . . 74.11 110.368 175.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.551 HG21 HD12 ' A' ' 41' ' ' LEU . 49.8 t -56.62 -61.06 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.311 1.007 . . . . 75.33 111.246 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -67.63 -30.23 69.75 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.2 0.6 . . . . 75.35 112.421 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.95 85.76 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.762 0.425 . . . . 75.42 110.715 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -37.01 82.74 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.175 -0.92 . . . . 75.45 110.721 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.7 mt -69.65 -25.29 63.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.278 0.631 . . . . 74.42 112.054 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.41 -108.02 0.29 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-O 120.054 -0.303 . . . . 70.22 112.658 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -108.82 155.02 21.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.669 0.788 . . . . 73.42 109.76 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -80.27 63.94 4.92 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.429 1.091 . . . . 74.04 111.335 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -161.15 95.63 1.05 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.491 -1.3 . . . . 65.54 107.491 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.572 ' HB ' HG13 ' A' ' 76' ' ' ILE . 23.1 mm -119.72 147.49 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.07 0.548 . . . . 75.43 110.838 -163.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -88.62 118.03 28.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.281 0.632 . . . . 73.32 109.946 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.666 HG23 HD11 ' A' ' 76' ' ' ILE . 3.9 t -115.81 133.84 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.206 1.002 . . . . 72.31 109.408 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.9 m -141.87 124.67 16.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.597 -0.89 . . . . 74.23 108.597 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -98.7 148.05 24.25 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.587 -0.523 . . . . 73.5 109.587 174.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.59 113.46 4.15 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.58 -0.896 . . . . 72.02 108.58 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.02 46.46 92.56 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 116.065 -0.516 . . . . 72.4 112.911 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 7.8 m-20 65.54 7.99 4.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.086 1.354 . . . . 72.11 113.267 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -96.96 126.36 42.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.401 -0.963 . . . . 71.34 108.401 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -90.96 108.73 20.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 121.727 0.775 . . . . 75.34 109.394 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.1 m -107.52 105.29 15.12 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.604 -1.18 . . . . 72.14 109.194 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 68.3 t -111.73 110.35 31.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 123.866 0.866 . . . . 72.13 108.855 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 56' ' ' SER . 41.2 tt0 -115.75 117.49 30.39 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 123.57 0.748 . . . . 72.33 109.858 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.45 -155.96 27.45 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.93 0.769 . . . . 75.2 113.22 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -106.16 164.93 11.6 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.91 0.884 . . . . 73.43 109.32 171.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 tp -69.27 103.31 1.92 Allowed 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.506 0.504 . . . . 75.33 109.828 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -81.33 -35.61 30.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.422 -0.808 . . . . 63.52 109.943 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.37 83.08 1.64 Allowed Glycine 0 C--N 1.349 1.282 0 N-CA-C 110.819 -0.913 . . . . 75.43 110.819 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.1 t -72.1 78.8 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 75.53 109.479 -173.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.481 1.113 . . . . 73.25 108.029 -173.41 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.661 -0.496 . . . . 75.01 109.661 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -69.57 97.08 0.99 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.888 0.475 . . . . 64.41 109.891 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.62 147.92 48.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.205 -0.907 . . . . 74.44 112.212 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -120.63 115.26 23.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.643 0.777 . . . . 74.24 109.103 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -147.14 -62.22 0.28 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.708 0.803 . . . . 74.13 109.423 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -127.74 50.86 1.99 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.457 0.646 . . . . 74.42 110.31 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -99.67 29.99 3.84 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.196 -0.911 . . . . 73.55 108.784 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -157.22 140.93 15.92 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.053 -1.091 . . . . 74.54 108.053 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.0 t -67.61 172.55 5.03 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.741 0.816 . . . . 73.11 111.433 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.18 66.34 2.57 Favored Glycine 0 C--N 1.347 1.15 0 N-CA-C 111.238 -0.745 . . . . 71.42 111.238 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.46 119.98 18.44 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.747 0.819 . . . . 71.42 109.566 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.546 HG23 HD13 ' A' ' 37' ' ' LEU . 44.9 mt -80.93 103.22 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.496 -1.229 . . . . 75.51 108.999 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' H ' ' HB ' ' A' ' 61' ' ' THR . 60.7 tt0 -87.38 113.32 22.98 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.567 0.747 . . . . 75.42 109.222 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.53 106.55 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.373 1.069 . . . . 71.1 108.257 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -108.47 143.13 37.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.918 0.887 . . . . 74.24 109.178 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.551 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.9 t-20 -146.15 116.35 7.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.123 -1.066 . . . . 73.45 108.123 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -101.95 111.85 24.26 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.343 1.057 . . . . 71.51 108.308 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.99 116.94 31.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.994 -1.113 . . . . 75.3 107.994 -175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -103.85 114.3 28.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.903 -0.406 . . . . 64.12 109.903 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 m -130.82 -78.32 0.53 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.687 0.795 . . . . 74.31 110.135 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -167.84 133.4 1.94 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.028 -0.73 . . . . 73.42 109.028 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.73 -90.74 0.21 Allowed Glycine 0 C--N 1.346 1.102 0 O-C-N 123.66 0.6 . . . . 61.4 112.461 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 142.37 24.01 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.186 0.594 . . . . 75.2 110.541 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -129.52 172.28 11.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.468 1.107 . . . . 65.23 110.251 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -92.82 90.34 6.98 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 123.453 0.701 . . . . 75.02 109.172 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -73.19 135.26 44.58 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.071 -0.968 . . . . 75.12 110.235 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.1 m-85 -81.67 129.49 34.72 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.5 0.72 . . . . 75.13 111.077 -173.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.7 m -139.44 122.08 16.34 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.356 0.662 . . . . 74.31 110.423 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -123.04 156.05 35.63 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.33 1.052 . . . . 73.35 108.783 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.3 m -132.45 112.2 11.93 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.968 -0.752 . . . . 75.3 108.968 172.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -116.11 143.16 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 109.067 -0.716 . . . . 73.4 109.067 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 t -104.02 16.07 27.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.061 0.544 . . . . 73.02 109.671 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.557 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 9.3 m -145.63 142.16 28.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.103 0.561 . . . . 75.31 109.976 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.39 -31.65 58.1 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.431 1.092 . . . . 73.13 111.007 -172.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -62.41 -38.46 89.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.385 -0.825 . . . . 73.45 110.42 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.557 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 29.1 mm-40 -67.1 -23.98 65.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.507 -0.77 . . . . 74.24 111.968 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.546 HD13 HG23 ' A' ' 12' ' ' ILE . 65.3 mt -59.08 -42.68 91.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.469 0.708 . . . . 74.32 111.187 171.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -59.6 -53.93 52.37 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.319 0.647 . . . . 73.32 110.245 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.68 -45.73 88.77 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.527 0.331 . . . . 74.24 111.595 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 p -72.81 -22.27 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 116.53 -0.304 . . . . 74.51 111.303 -171.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD13 HG23 ' A' ' 78' ' ' VAL . 3.9 mm? -84.58 -22.58 30.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.078 0.551 . . . . 75.41 111.812 173.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -64.3 -49.45 71.73 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.869 0.467 . . . . 73.0 110.241 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.31 -46.63 69.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.708 -0.678 . . . . 73.12 110.712 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.72 -28.64 70.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.678 0.791 . . . . 74.3 111.892 -173.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -49.77 -51.11 41.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.8 1.24 . . . . 73.13 112.251 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.51 -31.18 63.57 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.181 -0.918 . . . . 64.44 111.409 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -70.68 -44.48 66.92 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.052 0.541 . . . . 73.13 110.793 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.53 -40.45 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.625 1.17 . . . . 73.22 110.123 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.4 -48.61 76.57 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.071 0.948 . . . . 75.31 111.262 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -72.55 -44.34 62.26 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 114.772 -1.104 . . . . 75.44 111.156 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -82.1 -5.37 58.36 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.01 0.924 . . . . 75.51 111.093 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.56 75.06 2.02 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.355 -0.698 . . . . 63.53 111.355 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 m -61.03 -39.18 88.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.14 0.976 . . . . 74.45 111.272 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -145.88 -60.7 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.648 -0.706 . . . . 64.54 109.327 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -138.15 154.67 49.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.187 0.595 . . . . 75.23 111.082 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 p -138.44 117.02 12.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.429 1.091 . . . . 73.23 109.594 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 99' ' ' GLU . 31.1 ttp-105 -92.84 109.17 20.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.648 0.779 . . . . 75.22 110.128 -174.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -97.89 145.62 26.25 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.4 0.68 . . . . 74.42 109.364 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -145.33 132.47 20.42 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.9 0.88 . . . . 65.34 108.688 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -121.26 130.58 74.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 123.54 0.736 . . . . 74.32 109.048 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.421 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 49.0 m -73.24 111.98 8.86 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.196 0.935 . . . . 74.12 110.212 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 94' ' ' ASP . . . -113.13 160.69 17.95 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 106.107 -1.812 . . . . 75.14 106.107 169.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 2.5 mmp_? -104.77 -32.36 8.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.715 -0.616 . . . . 74.32 109.873 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.9 p -126.02 161.88 26.54 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 124.451 1.1 . . . . 65.1 108.785 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -67.86 -26.81 66.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.735 0.414 . . . . 74.53 111.561 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -63.23 -29.85 71.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.624 0.77 . . . . 74.13 110.606 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.3 mt-10 -83.25 -33.71 25.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.048 -0.524 . . . . 74.54 110.657 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.97 71.37 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 122.854 0.462 . . . . 64.55 111.758 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.33 -38.32 56.11 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.833 0.453 . . . . 70.32 111.454 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.4 pttt -75.34 -26.57 58.71 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.993 0.425 . . . . 75.04 110.614 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -88.66 -18.06 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.139 0.576 . . . . 75.24 111.497 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.78 96.35 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.224 -1.028 . . . . 71.54 108.224 165.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.9 78.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.403 -0.817 . . . . 72.23 111.646 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.79 -57.75 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.56 0.744 . . . . 75.14 111.114 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.94 -37.86 87.15 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.632 0.975 . . . . 73.1 113.632 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.5 -37.28 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.5 0.72 . . . . 74.22 110.476 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -45.98 77.01 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.279 0.632 . . . . 74.54 110.978 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG23 HD13 ' A' ' 41' ' ' LEU . 54.6 t -60.06 -53.75 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.977 0.911 . . . . 75.21 110.936 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.474 ' HB3' HD13 ' A' ' 87' ' ' ILE . 19.5 m-85 -72.44 -17.68 61.76 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.607 -0.724 . . . . 73.14 112.381 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.41 80.6 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.957 0.408 . . . . 72.31 110.382 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.1 -25.83 61.02 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.874 -0.603 . . . . 75.52 110.898 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 mt -83.06 -23.76 33.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.049 0.54 . . . . 73.45 111.13 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.2 -113.39 1.42 Allowed Glycine 0 C--N 1.343 0.944 0 N-CA-C 110.93 -0.868 . . . . 54.31 110.93 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -152.6 -71.36 0.15 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.821 -0.807 . . . . 74.0 108.821 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -155.44 19.11 0.41 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.52 1.128 . . . . 73.35 108.705 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -85.4 36.08 0.63 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.019 1.328 . . . . 75.2 111.126 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.474 HD13 ' HB3' ' A' ' 79' ' ' TYR . 15.4 mm -98.11 109.67 24.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.483 -0.78 . . . . 73.24 109.472 -169.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -89.62 125.17 35.13 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.839 -0.8 . . . . 70.32 108.839 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.48 144.99 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.392 1.077 . . . . 73.41 109.652 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.4 m -128.69 132.53 48.03 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.487 1.115 . . . . 74.23 108.339 170.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.71 99.82 8.0 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.35 -0.981 . . . . 75.34 108.35 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.93 68.65 1.28 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.888 0.851 . . . . 64.05 109.155 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.55 -97.19 0.23 Allowed Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.177 -1.374 . . . . 71.42 113.556 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.415 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 9.1 p-10 -92.3 -8.09 46.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 55.43 110.986 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -115.33 120.08 38.44 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.924 -0.485 . . . . 63.33 109.882 -176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.21 130.99 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.38 -0.6 . . . . 73.42 109.38 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.4 m -128.38 137.47 51.89 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.278 1.031 . . . . 65.4 110.149 -171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.64 114.2 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.146 0.978 . . . . 73.42 109.798 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 57' ' ' ARG . 35.6 tt0 -153.02 139.57 18.74 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.465 1.106 . . . . 74.23 110.095 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.05 172.36 24.29 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 115.236 0.855 . . . . 64.42 115.236 161.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -104.97 124.76 50.07 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.497 1.519 . . . . 73.32 110.287 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 tt -75.41 101.18 4.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.604 -1.258 . . . . 64.12 107.604 173.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -93.56 99.99 12.34 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.634 0.774 . . . . 73.12 109.184 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.24 79.75 0.04 OUTLIER Glycine 0 C--N 1.34 0.767 0 N-CA-C 111.001 -0.84 . . . . 72.4 111.001 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.9 m -70.42 145.33 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.848 0.459 . . . . 72.52 111.029 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 124.201 1.0 . . . . 74.2 110.554 -179.249 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.413 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 121.47 0.652 . . . . 75.41 109.753 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -134.45 81.83 1.93 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.46 0.704 . . . . 74.33 109.57 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.15 87.22 0.16 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.603 0.761 . . . . 73.14 109.816 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -88.28 126.69 35.3 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.591 -0.732 . . . . 74.31 109.805 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -170.66 155.27 4.79 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 124.396 1.06 . . . . 74.32 108.662 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -68.66 145.49 53.84 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 123.533 0.521 . . . . 74.0 109.673 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -150.02 106.98 3.56 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.881 -0.785 . . . . 72.0 108.881 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -84.94 132.4 34.37 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 114.933 -1.03 . . . . 73.53 108.929 173.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 32.4 m -144.25 93.2 2.41 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.289 -0.634 . . . . 73.01 109.289 175.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.75 -142.15 47.48 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.229 -0.896 . . . . 71.22 113.626 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.38 140.86 29.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.082 0.953 . . . . 74.15 110.319 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.573 HG21 HD12 ' A' ' 37' ' ' LEU . 32.1 mt -107.86 105.37 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.038 -1.097 . . . . 75.43 108.038 175.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.9 120.47 29.27 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.22 0.608 . . . . 73.53 110.422 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' THR . 41.9 t -96.12 125.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 107.971 -1.122 . . . . 70.42 107.971 173.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -133.02 153.12 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.13 0.972 . . . . 72.31 109.471 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.601 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.5 t-20 -144.79 151.26 38.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.657 0.783 . . . . 74.54 109.715 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.46 108.82 8.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.058 -1.09 . . . . 74.34 108.058 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -101.66 121.43 42.02 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.026 -0.731 . . . . 73.1 109.026 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 p -94.24 112.1 23.88 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 107.641 -1.244 . . . . 75.44 107.641 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 t -168.78 155.77 7.26 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.241 -0.89 . . . . 74.44 109.762 -170.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.97 -15.7 61.54 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.276 0.63 . . . . 74.44 110.734 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.29 -160.79 4.1 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 115.722 -0.672 . . . . 51.11 112.437 169.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -84.51 144.44 28.7 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 122.551 -0.382 . . . . 73.33 111.745 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.5 p -75.22 83.79 2.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.658 1.183 . . . . 71.43 110.723 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -77.68 104.84 8.46 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.24 -0.891 . . . . 73.4 109.199 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.72 -28.12 67.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.391 -0.822 . . . . 64.35 110.922 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.601 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 21.4 m-85 48.06 36.5 6.49 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.074 0.95 . . . . 74.3 111.627 -178.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 90.6 m -86.04 116.85 24.51 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.329 -0.851 . . . . 74.23 109.72 -173.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -132.02 122.49 25.58 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.021 -1.103 . . . . 73.34 108.021 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -94.61 106.83 18.82 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.533 -0.914 . . . . 75.54 108.533 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 12' ' ' ILE . 26.3 m -100.73 173.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.228 -1.027 . . . . 72.24 108.228 172.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -135.17 -9.85 2.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.902 0.481 . . . . 72.51 110.734 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.652 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.2 m -117.41 142.78 46.72 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.932 0.893 . . . . 50.01 109.119 -177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.28 -33.44 75.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.84 0.856 . . . . 74.21 110.407 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -59.31 -38.58 80.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.187 0.995 . . . . 71.21 112.0 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.652 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.2 mt-10 -65.37 -28.84 69.56 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.361 -0.836 . . . . 72.13 111.91 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 12' ' ' ILE . 73.1 mt -60.46 -40.81 92.54 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.657 0.598 . . . . 74.53 111.247 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.35 -30.34 71.39 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.727 0.411 . . . . 74.34 111.218 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -57.52 3.8 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.885 0.874 . . . . 74.41 110.7 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.29 -27.75 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.591 0.756 . . . . 73.22 111.821 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.534 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.0 mm? -75.27 -37.96 60.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.146 0.578 . . . . 73.44 111.752 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -69.75 -35.3 74.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.062 0.545 . . . . 72.42 112.037 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 -40.05 55.27 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.279 -0.267 . . . . 73.02 110.279 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.47 -28.26 69.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.348 1.059 . . . . 74.31 111.378 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 78' ' ' VAL . 38.2 ttpt -48.02 -51.17 25.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.439 1.495 . . . . 71.22 112.034 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.53 -28.89 65.28 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.849 0.86 . . . . 74.45 112.559 -176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.81 -55.08 10.79 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.827 0.451 . . . . 73.41 110.379 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 56' ' ' SER . 65.5 mt -61.74 -32.13 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 124.471 1.108 . . . . 73.43 111.058 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -57.59 -51.61 68.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.729 1.212 . . . . 64.32 110.923 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -79.45 -32.53 42.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.451 -1.25 . . . . 74.52 110.845 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -92.5 179.55 5.49 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.659 0.783 . . . . 63.34 112.36 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.81 106.03 0.21 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.827 -1.079 . . . . 64.04 112.134 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.2 m -64.54 -39.32 93.55 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.743 0.782 . . . . 72.31 108.918 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -150.78 0.43 Allowed 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.532 -1.213 . . . . 74.31 107.857 166.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 125.95 42.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.703 -0.623 . . . . 74.45 109.452 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 48' ' ' ILE . 15.2 m -74.7 120.05 19.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.714 0.806 . . . . 75.42 110.421 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 42.0 ttm180 -92.28 115.04 27.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.329 1.052 . . . . 74.43 110.621 -171.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -102.48 143.05 32.69 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.289 0.636 . . . . 73.2 110.868 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -134.13 120.65 20.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.578 1.151 . . . . 75.12 109.13 174.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.9 mt -107.93 136.62 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 124.076 0.95 . . . . 75.34 108.909 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -62.94 117.89 7.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.256 0.55 . . . . 74.52 111.779 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.45 160.82 17.38 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.569 1.148 . . . . 74.51 108.469 168.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' HG3' ' HB2' ' A' ' 9' ' ' SER . 16.1 mmt180 -116.85 -77.3 0.57 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.852 -0.796 . . . . 72.51 108.852 178.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.1 p -84.67 160.25 20.39 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.706 -0.85 . . . . 72.42 108.706 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.45 -19.5 62.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.343 0.657 . . . . 71.42 111.303 -177.301 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -66.62 -44.84 80.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.198 0.599 . . . . 74.03 110.276 169.845 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 44.4 mt-10 -68.03 -28.69 67.62 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.474 -0.785 . . . . 74.32 110.695 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -67.96 -33.56 74.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.241 -0.891 . . . . 72.42 111.154 175.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 42.3 mt-10 -70.17 -49.77 47.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 73.01 111.394 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.497 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 21.8 pttp -69.09 -30.59 68.93 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 116.346 -0.388 . . . . 73.22 112.043 -175.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.0 m-30 -89.01 -19.72 25.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.215 0.45 . . . . 75.42 112.215 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.96 99.92 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.951 -0.759 . . . . 75.42 108.951 166.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -58.45 -41.64 85.59 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.652 -0.704 . . . . 74.43 111.333 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.526 HG22 ' HB3' ' A' ' 37' ' ' LEU . 68.4 mt -58.74 -38.71 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.123 0.969 . . . . 72.13 111.318 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.417 HD22 ' HE2' ' A' ' 79' ' ' TYR . 24.3 mt -66.42 -55.36 16.1 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.42 -0.809 . . . . 53.13 111.512 175.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.593 HD12 HG22 ' A' ' 89' ' ' VAL . 1.6 mp -59.32 -33.64 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 C-N-CA 123.96 0.904 . . . . 75.11 112.292 -170.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 56.1 mtpt -57.9 -37.01 73.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.23 0.612 . . . . 73.54 111.462 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 41' ' ' LEU . 70.0 t -74.74 -49.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.544 1.138 . . . . 74.25 111.139 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.417 ' HE2' HD22 ' A' ' 75' ' ' LEU . 23.6 m-85 -77.12 -16.91 59.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.36 0.664 . . . . 75.5 112.221 -171.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.79 94.94 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.614 0.571 . . . . 74.25 109.946 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.66 -34.69 58.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.069 0.948 . . . . 65.24 111.508 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.4 mt -76.06 -14.74 60.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.345 0.658 . . . . 75.11 112.581 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.13 -155.4 6.8 Favored Glycine 0 C--N 1.342 0.886 0 CA-C-N 116.343 -0.39 . . . . 71.04 112.262 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -104.19 34.06 3.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.656 1.182 . . . . 73.21 109.142 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.16 12.79 8.77 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.682 1.193 . . . . 74.4 111.655 -175.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.29 95.58 8.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.171 -1.048 . . . . 64.43 108.171 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.537 HG23 HG13 ' A' ' 76' ' ' ILE . 33.6 mm -119.58 142.36 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 115.627 -0.715 . . . . 75.34 110.765 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -115.41 111.15 20.39 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.181 -1.044 . . . . 72.34 108.181 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.593 HG22 HD12 ' A' ' 76' ' ' ILE . 7.9 t -101.08 133.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.015 -0.735 . . . . 75.02 109.015 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 p -133.57 125.54 29.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.901 0.88 . . . . 54.15 109.222 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -97.9 102.94 14.82 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.392 0.677 . . . . 74.42 109.343 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.8 t70 -70.03 -38.3 75.82 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.542 0.737 . . . . 72.21 110.348 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.25 -55.6 0.55 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 110.695 -0.962 . . . . 61.32 110.695 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.02 -18.56 39.35 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.212 0.605 . . . . 64.43 110.394 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.4 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 6.1 p -144.34 153.97 42.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.224 1.01 . . . . 75.32 111.264 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 68' ' ' ALA . 13.4 m -106.36 125.82 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.786 0.834 . . . . 73.53 109.286 166.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.3 m -117.73 132.07 56.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.031 0.933 . . . . 75.1 110.06 -172.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.6 t -128.27 117.3 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.296 0.639 . . . . 73.45 109.684 173.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -154.17 132.32 11.8 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.99 -1.115 . . . . 74.25 107.99 171.155 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.06 -159.88 31.66 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.614 0.571 . . . . 63.43 112.585 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.61 38.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.958 0.503 . . . . 74.1 111.538 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.14 103.32 2.73 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 106.554 -1.647 . . . . 74.01 106.554 166.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.81 149.85 21.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.867 0.867 . . . . 75.5 110.967 -175.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.46 -82.02 0.48 Allowed Glycine 0 C--N 1.349 1.277 0 O-C-N 123.885 0.741 . . . . 73.22 114.699 169.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.55 96.33 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 124.399 1.079 . . . . 74.33 111.591 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--O 1.254 1.309 0 CA-C-N 115.721 -0.672 . . . . 75.5 109.607 176.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.328 -0.249 . . . . 75.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -148.83 -79.53 0.14 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.946 0.898 . . . . 62.35 110.122 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -77.26 -36.25 54.61 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 113.074 0.768 . . . . 71.21 113.074 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -57.31 115.46 2.71 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.386 0.429 . . . . 73.12 110.13 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -55.83 114.04 1.74 Allowed 'General case' 0 CA--C 1.541 0.631 0 O-C-N 124.652 1.22 . . . . 73.24 112.274 -172.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -108.08 89.76 3.09 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.196 -1.365 . . . . 70.01 109.044 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -67.75 141.49 56.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 72.12 110.654 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.75 13.19 9.27 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.298 1.039 . . . . 74.45 112.594 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.4 t -76.91 96.2 4.28 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.376 -0.972 . . . . 63.41 108.376 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.88 28.9 0.1 OUTLIER Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.16 -0.927 . . . . 74.4 111.073 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.74 147.13 50.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.753 0.821 . . . . 73.31 111.123 -176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 96.4 mt -106.89 121.89 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.299 1.44 . . . . 74.03 110.338 -169.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.57 126.94 39.01 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.657 0.383 . . . . 73.33 110.028 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.64 114.93 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.257 1.023 . . . . 74.12 108.686 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -113.47 140.78 47.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.244 1.018 . . . . 75.4 109.05 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.639 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 27.1 t-20 -138.18 147.84 44.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.363 0.665 . . . . 65.11 109.682 173.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -131.71 110.79 11.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.643 0.777 . . . . 72.14 110.203 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.556 HD22 ' HA ' ' A' ' 48' ' ' ILE . 90.0 m-20 -109.01 113.0 25.49 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.593 -1.262 . . . . 65.44 107.593 167.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.38 107.39 9.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.529 -0.545 . . . . 65.03 109.529 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.4 p 169.69 117.56 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.048 1.739 . . . . 73.23 107.934 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 68.67 -76.73 0.06 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.987 1.315 . . . . 74.53 111.763 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.99 139.47 27.18 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-O 119.88 -0.4 . . . . 64.11 112.439 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.519 ' HZ2' ' HB2' ' A' ' 23' ' ' LYS . 5.1 ttmp? -68.27 133.73 49.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.429 0.692 . . . . 72.12 110.751 -176.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m -70.06 97.34 1.16 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.544 0.738 . . . . 72.32 109.148 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.09 -80.72 0.06 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.868 -0.419 . . . . 70.33 109.868 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.06 138.12 6.58 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 109.304 -0.628 . . . . 64.25 109.304 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.639 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 97.1 m-85 -139.05 12.28 2.63 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.26 1.024 . . . . 74.32 110.237 -176.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.5 m -86.27 134.85 33.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.325 0.65 . . . . 75.11 110.872 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -133.04 159.13 40.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.71 1.204 . . . . 73.34 108.854 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -124.92 112.02 16.13 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.769 -0.826 . . . . 74.42 108.769 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 33.1 m -114.46 126.02 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.968 -0.752 . . . . 74.13 108.968 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -89.74 -17.92 27.36 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.338 0.59 . . . . 74.2 109.873 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -139.02 152.48 47.65 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.987 0.915 . . . . 71.44 109.994 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.41 -22.14 66.86 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.289 1.036 . . . . 74.04 112.85 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -64.28 -37.64 88.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.058 0.543 . . . . 71.41 110.469 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 22.6 mm-40 -73.18 -38.46 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.841 0.857 . . . . 74.25 110.042 178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HA ' HG11 ' A' ' 31' ' ' VAL . 8.9 tp -55.94 -42.49 76.26 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.654 1.182 . . . . 74.51 112.4 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -62.96 -26.77 68.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.447 -0.797 . . . . 71.52 111.434 -174.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.65 -48.04 23.81 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.254 0.621 . . . . 74.55 109.94 174.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 16.1 m -67.98 -26.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-O 118.858 -0.591 . . . . 73.44 112.165 -172.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 74' ' ' ILE . 3.8 mm? -80.07 -40.05 28.44 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.46 0.573 . . . . 73.41 112.259 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -63.96 -43.97 94.19 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.648 0.592 . . . . 75.44 109.527 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.36 -40.04 70.9 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.125 -0.488 . . . . 71.44 110.705 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 35.3 tp -63.44 -29.62 70.87 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.464 0.705 . . . . 75.12 110.668 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -54.45 -39.99 67.96 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.915 0.886 . . . . 73.11 110.838 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.07 -41.63 70.45 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.662 0.785 . . . . 70.24 111.068 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -58.84 -42.33 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.325 0.65 . . . . 74.2 111.941 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.556 ' HA ' HD22 ' A' ' 18' ' ' ASN . 69.0 mt -74.46 -45.63 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.64 0.776 . . . . 73.14 110.681 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.34 -37.93 71.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.751 0.82 . . . . 74.51 111.373 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -66.08 -43.9 86.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.462 0.476 . . . . 73.5 110.317 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.54 -38.48 90.16 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 123.731 0.644 . . . . 75.14 109.567 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.14 53.58 45.19 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 114.79 -1.096 . . . . 75.3 112.693 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 t -86.72 144.83 26.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 110.104 -0.332 . . . . 70.54 110.104 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -60.14 -42.95 95.94 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.584 0.754 . . . . 71.23 111.416 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -118.75 135.15 54.66 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.66 0.784 . . . . 75.2 110.312 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.477 ' HB3' ' HE1' ' A' ' 79' ' ' TYR . 35.2 t -139.29 117.1 11.57 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.975 0.91 . . . . 72.31 108.718 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -114.2 108.93 17.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.498 0.719 . . . . 72.51 109.801 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m -103.38 121.13 42.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.476 0.711 . . . . 74.21 109.713 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -119.84 130.34 54.84 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 109.189 -0.671 . . . . 62.44 109.189 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.504 HG23 ' CD2' ' A' ' 71' ' ' PHE . 22.4 mt -126.65 139.88 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.156 0.982 . . . . 70.14 110.692 -171.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 47.2 m -66.55 105.55 1.54 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.915 0.886 . . . . 70.44 111.146 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.08 128.36 46.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.805 0.842 . . . . 73.54 109.825 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 29.9 mmt180 -80.08 -35.7 36.61 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.752 -0.592 . . . . 75.23 111.067 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -131.55 178.73 6.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.372 1.069 . . . . 73.54 108.913 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -74.14 -20.77 60.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.225 0.21 . . . . 74.51 110.527 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -72.0 -29.14 63.91 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.189 0.596 . . . . 74.35 109.854 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 5.5 mm-40 -75.31 -43.27 51.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.03 -0.73 . . . . 64.34 109.03 171.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.16 79.89 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.427 -0.806 . . . . 64.21 112.154 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.74 -43.25 63.17 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.504 0.321 . . . . 75.25 111.837 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 62.9 pttt -74.33 -43.29 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 119.499 -0.286 . . . . 75.52 110.517 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 39.4 m-85 -64.41 -35.91 82.45 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.489 0.493 . . . . 75.51 110.392 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 96' ' ' VAL . . . -56.51 -47.65 78.89 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.828 0.705 . . . . 75.31 110.938 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.17 98.94 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.226 0.954 . . . . 74.13 110.87 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.521 HG21 ' HG ' ' A' ' 41' ' ' LEU . 88.8 mt -60.24 -25.38 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.049 0.939 . . . . 61.21 110.93 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 58.5 mt -81.35 -42.46 20.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.047 0.539 . . . . 74.44 110.284 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.76 -35.51 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 124.861 1.265 . . . . 73.32 111.284 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -60.77 -46.2 91.42 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 64.42 110.683 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.488 HG22 HD11 ' A' ' 41' ' ' LEU . 61.9 t -60.72 -52.53 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.897 0.879 . . . . 75.1 110.717 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.477 ' HE1' ' HB3' ' A' ' 56' ' ' SER . 72.9 m-85 -69.68 -24.25 63.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.187 0.595 . . . . 74.12 112.345 -177.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.92 89.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.865 0.466 . . . . 74.11 110.428 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -36.34 83.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.397 -0.82 . . . . 71.34 110.716 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 85.0 mt -71.39 -23.91 61.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.595 0.758 . . . . 74.03 112.137 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -178.79 -96.89 0.1 Allowed Glycine 0 C--N 1.352 1.441 0 C-N-CA 121.277 -0.487 . . . . 62.51 113.902 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.26 158.37 16.62 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.721 0.808 . . . . 75.42 112.307 -169.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -82.04 -28.64 32.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 74.13 109.915 174.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -71.57 105.93 3.83 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.352 0.661 . . . . 64.32 109.271 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -122.04 142.32 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.876 0.87 . . . . 73.22 109.129 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 101' ' ' GLN . 6.2 t30 -88.24 123.93 33.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.53 -0.915 . . . . 60.33 108.53 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.81 141.76 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.426 0.69 . . . . 75.3 109.539 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -144.75 139.29 27.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.533 1.133 . . . . 75.45 108.422 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.8 m-90 -110.86 100.84 9.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.652 -0.87 . . . . 74.31 108.652 -177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.7 t70 -61.09 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.771 0.828 . . . . 75.14 110.826 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.44 -84.9 0.17 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.594 -1.002 . . . . 72.32 110.594 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.68 0.27 44.06 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.505 0.722 . . . . 75.14 110.627 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.432 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 7.0 m -140.33 143.04 35.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.081 0.952 . . . . 73.45 108.476 171.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 72' ' ' ALA . 7.6 p -111.66 145.43 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.014 -0.736 . . . . 72.34 109.014 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.2 m -130.33 132.16 45.71 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.448 0.699 . . . . 72.43 110.022 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.6 t -126.0 132.28 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.501 1.12 . . . . 74.44 108.715 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -119.06 143.49 47.09 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 124.455 1.102 . . . . 72.24 109.178 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.59 100.73 1.33 Allowed Glycine 0 C--N 1.342 0.912 0 N-CA-C 110.259 -1.137 . . . . 73.53 110.259 169.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . 16.9 pt20 -78.93 157.3 28.24 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.16 0.505 . . . . 73.03 111.511 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -86.17 149.32 25.19 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.141 -1.059 . . . . 74.32 108.141 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.55 155.16 36.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.357 0.663 . . . . 70.21 112.179 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.19 52.09 0.46 Allowed Glycine 0 N--CA 1.467 0.75 0 N-CA-C 110.989 -0.844 . . . . 73.54 110.989 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -132.99 155.22 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.368 1.067 . . . . 75.42 110.405 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.34 -0.615 . . . . 72.11 109.34 -179.199 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 109.213 -0.662 . . . . 73.23 109.213 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -137.26 105.22 5.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.119 0.968 . . . . 74.11 108.847 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.07 95.64 3.67 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.637 -0.71 . . . . 75.31 111.31 -176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -77.04 -6.02 51.07 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.844 -0.616 . . . . 73.35 111.122 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -81.39 60.71 4.55 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.783 -0.821 . . . . 72.44 108.783 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.62 77.49 3.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.645 0.736 . . . . 72.34 109.952 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -147.83 157.34 43.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.896 1.278 . . . . 73.23 108.535 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 5.6 mmp_? -108.01 125.35 51.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.468 0.707 . . . . 70.35 110.719 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -81.62 100.92 9.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.68 0.792 . . . . 73.43 109.517 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.52 139.02 27.05 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 115.755 -0.657 . . . . 64.24 111.594 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -76.95 154.94 33.1 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.123 0.569 . . . . 74.41 111.247 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.458 HG23 HD21 ' A' ' 37' ' ' LEU . 76.0 mt -80.33 103.67 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 114.943 -1.026 . . . . 72.4 109.097 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' H ' ' HB ' ' A' ' 61' ' ' THR . 26.3 tp60 -89.71 120.83 31.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.069 0.948 . . . . 74.24 109.188 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.05 114.13 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 106.601 -1.629 . . . . 71.12 106.601 -174.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' A' ' 28' ' ' THR . 51.7 mt-30 -123.25 105.14 9.61 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.59 -0.522 . . . . 74.42 109.59 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.461 ' ND2' ' HH ' ' A' ' 79' ' ' TYR . 27.4 t-20 -103.98 130.41 51.63 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.394 -0.965 . . . . 75.54 108.394 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' A' ' 56' ' ' SER . 3.1 t-20 -101.14 110.06 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.929 -1.137 . . . . 74.33 107.929 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -139.69 113.66 8.8 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.651 -1.611 . . . . 70.12 106.651 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -145.04 124.99 13.48 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.285 0.564 . . . . 63.12 109.838 -174.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -148.28 172.77 13.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.91 1.284 . . . . 43.04 108.72 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -69.12 88.62 0.42 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.177 0.513 . . . . 65.33 109.712 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.56 10.15 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.251 -0.886 . . . . 63.34 110.925 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HZ1' ' HB3' ' A' ' 23' ' ' LYS . 7.4 mtpm? -77.97 80.07 4.42 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.368 0.604 . . . . 72.41 109.655 -178.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 t -140.87 90.87 2.36 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.097 -0.956 . . . . 72.0 108.562 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.99 163.56 21.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.133 -0.94 . . . . 71.5 111.074 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 16' ' ' ASN . 6.2 m-20 -74.23 134.97 42.69 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.964 0.906 . . . . 73.03 109.482 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -86.52 81.42 8.29 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.645 0.736 . . . . 72.33 110.291 -167.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.45 HG21 ' HA ' ' A' ' 15' ' ' GLN . 5.4 p -94.9 134.95 37.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.825 -1.08 . . . . 74.41 111.189 177.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.61 156.26 49.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.656 1.182 . . . . 73.01 108.923 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.5 m -129.27 109.38 11.07 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.53 -0.915 . . . . 72.23 108.53 172.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 14.9 m -113.78 146.94 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.383 0.673 . . . . 74.05 109.807 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 t -101.68 -19.38 15.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.111 0.565 . . . . 72.32 110.666 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.526 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.0 m -118.42 143.27 46.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.881 0.873 . . . . 72.13 109.203 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.06 -27.74 67.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.677 0.791 . . . . 70.42 112.215 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -64.97 -41.59 95.3 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.663 0.385 . . . . 75.14 110.919 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.3 mt-10 -63.13 -33.26 75.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.078 0.551 . . . . 64.34 110.55 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD11 HD12 ' A' ' 60' ' ' ILE . 55.0 tp -60.8 -41.33 95.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.545 0.738 . . . . 73.42 110.809 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -70.6 -32.18 69.44 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.661 -0.699 . . . . 75.15 111.124 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -70.87 -43.03 69.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.422 0.689 . . . . 72.42 111.178 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.9 m -74.3 -26.6 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 119.67 -0.205 . . . . 75.12 111.084 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mm? -74.66 -34.75 62.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.467 0.707 . . . . 74.45 111.037 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 18.6 t30 -55.68 -51.35 67.58 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.27 1.028 . . . . 73.1 110.578 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.16 -33.47 59.37 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.014 0.526 . . . . 74.52 111.612 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HA ' ' HD2' ' A' ' 47' ' ' TYR . 9.5 tt -58.49 -33.75 70.14 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.467 1.107 . . . . 75.51 111.38 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.5 ttpt -54.58 -47.09 73.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.317 1.047 . . . . 75.11 112.103 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.21 -34.73 79.05 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.958 -1.019 . . . . 72.23 110.957 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.409 ' HD2' ' HA ' ' A' ' 44' ' ' LEU . 26.2 m-85 -73.09 -37.19 66.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.3 -0.864 . . . . 74.22 111.996 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.3 mt -70.05 -43.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.602 -0.518 . . . . 73.41 109.602 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -65.8 -21.74 66.51 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.019 0.927 . . . . 74.23 111.77 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HB3' ' HZ2' ' A' ' 50' ' ' LYS . 6.6 ttpm? -53.18 -41.74 65.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.277 1.031 . . . . 75.12 111.788 175.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -114.91 172.05 7.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.189 0.595 . . . . 64.32 110.088 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.26 31.28 6.82 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.62 -0.264 . . . . 71.24 112.651 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.38 100.18 3.72 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.376 0.671 . . . . 74.13 109.407 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.95 -10.74 59.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.661 0.784 . . . . 74.53 112.363 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -111.26 121.92 46.52 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.541 0.736 . . . . 74.45 109.83 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 17' ' ' ASN . 59.0 p -139.83 111.96 7.58 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.799 0.84 . . . . 73.55 109.578 176.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -99.34 109.36 21.99 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.608 -0.516 . . . . 74.42 109.608 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -112.54 132.82 54.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.719 0.408 . . . . 75.32 110.218 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 4.8 t -134.82 119.99 18.81 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.969 -1.123 . . . . 72.51 107.969 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.474 HD12 HD11 ' A' ' 37' ' ' LEU . 62.6 mt -115.11 120.22 64.0 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 C-N-CA 124.414 1.085 . . . . 75.31 109.353 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.455 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 33.0 m -65.36 103.42 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 121.703 0.763 . . . . 75.2 110.133 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.73 127.5 53.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.194 -1.366 . . . . 54.31 107.462 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.03 -21.22 65.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.855 0.687 . . . . 74.22 112.855 -170.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -138.01 167.78 21.08 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.53 0.732 . . . . 73.33 109.921 173.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.83 -33.09 74.9 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.719 0.807 . . . . 73.01 111.011 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -68.69 -24.04 64.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.374 0.607 . . . . 74.34 110.237 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 50.9 mt-10 -83.97 -33.68 24.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 64.45 110.876 172.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.404 ' HB3' ' HD1' ' A' ' 91' ' ' TRP . . . -67.24 -36.15 81.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.909 -0.587 . . . . 75.25 111.227 -178.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.62 -38.31 73.91 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.405 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -74.4 -30.31 61.89 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.904 -0.497 . . . . 75.12 111.165 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -83.69 -16.02 46.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.818 0.447 . . . . 75.21 111.807 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.21 82.26 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.541 -0.541 . . . . 61.55 109.541 166.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.37 78.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.136 -0.938 . . . . 71.01 111.735 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.479 HG23 ' HG ' ' A' ' 41' ' ' LEU . 50.1 mt -57.5 -38.06 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.453 0.701 . . . . 75.32 111.003 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.0 mt -75.43 -43.85 47.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.5 -0.318 . . . . 71.21 111.485 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.471 HG12 HG21 ' A' ' 87' ' ' ILE . 60.3 mt -66.11 -40.11 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.203 0.601 . . . . 65.45 110.915 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -64.55 -35.37 80.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.412 0.685 . . . . 73.3 111.677 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 41' ' ' LEU . 71.1 t -80.69 -49.89 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.479 0.711 . . . . 60.51 111.462 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.461 ' HH ' ' ND2' ' A' ' 16' ' ' ASN . 1.5 m-85 -75.95 -33.17 59.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.04 0.936 . . . . 74.34 112.385 -168.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -21.5 65.96 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.031 0.207 . . . . 71.32 111.507 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.23 -37.03 84.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.585 0.754 . . . . 74.5 110.747 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.37 -22.79 47.38 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.172 -0.922 . . . . 74.31 110.503 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.81 168.54 11.85 Favored Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.387 -0.824 . . . . 74.51 111.705 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 64.15 85.4 0.14 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 74.12 111.413 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.28 -20.87 62.16 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.524 -0.547 . . . . 72.11 109.524 171.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.48 83.56 0.1 Allowed 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.219 1.008 . . . . 65.24 108.394 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.471 HG21 HG12 ' A' ' 76' ' ' ILE . 36.9 mm -102.03 124.16 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.861 -0.792 . . . . 75.0 108.861 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.73 106.53 18.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.154 -1.054 . . . . 73.23 108.154 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.87 128.67 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.523 0.729 . . . . 72.44 109.623 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -137.46 155.68 49.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.69 1.196 . . . . 74.51 107.965 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.404 ' HD1' ' HB3' ' A' ' 68' ' ' ALA . 8.5 m-90 -125.94 106.49 9.67 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.31 -0.626 . . . . 73.43 109.31 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -110.86 91.02 3.5 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.097 0.959 . . . . 72.22 109.675 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.28 49.28 9.59 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 116.011 -0.541 . . . . 75.34 113.258 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 65.57 2.66 2.12 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.087 1.355 . . . . 73.45 113.171 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.2 m -98.9 136.82 38.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.405 1.082 . . . . 63.43 108.307 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' SER . 5.0 p -90.97 112.32 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.428 0.632 . . . . 73.12 110.352 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -107.31 134.83 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.466 1.106 . . . . 75.11 109.44 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.18 132.88 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.563 1.145 . . . . 74.35 107.977 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.57 138.17 24.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.519 0.728 . . . . 73.41 109.755 175.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.11 -136.09 45.8 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.101 0.876 . . . . 60.03 113.551 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -128.07 162.46 26.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.535 0.734 . . . . 74.0 109.586 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -85.78 123.66 31.4 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.579 -0.526 . . . . 74.44 109.579 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -88.17 -16.82 32.33 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.106 0.562 . . . . 74.22 111.167 176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.08 122.56 28.91 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.606 0.566 . . . . 62.31 112.032 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.98 136.52 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.607 0.763 . . . . 71.4 110.943 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 123.138 0.575 . . . . 74.43 109.526 177.388 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mmt . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 109.326 -0.62 . . . . 74.2 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -80.4 -41.85 23.85 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.188 -0.671 . . . . 74.31 109.188 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -107.89 125.1 51.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 75.04 108.128 168.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -68.64 130.31 42.45 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.912 0.387 . . . . 74.35 110.283 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -150.43 131.07 13.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.425 1.09 . . . . 70.1 109.046 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -78.29 78.96 4.75 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.938 -0.764 . . . . 71.43 108.938 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -151.91 127.17 9.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 73.14 108.243 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -78.0 120.82 23.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.892 0.877 . . . . 72.42 110.32 -177.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p -81.01 -21.51 40.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.212 0.605 . . . . 75.43 111.292 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.36 66.25 0.03 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.484 -0.647 . . . . 44.22 111.484 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.62 126.86 30.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.556 0.742 . . . . 74.32 109.489 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 14.6 mt -78.65 104.16 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 114.874 -1.057 . . . . 75.42 110.298 -170.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -93.28 112.46 24.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.095 -0.706 . . . . 74.13 109.095 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' THR . 43.5 t -91.59 105.62 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.979 -1.489 . . . . 72.13 106.979 171.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.88 106.02 16.33 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.634 -0.876 . . . . 73.34 108.634 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.594 HD22 ' HB3' ' A' ' 56' ' ' SER . 25.7 t-20 -105.49 112.73 25.94 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.491 -0.929 . . . . 74.14 108.491 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -103.48 111.35 23.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.381 -1.34 . . . . 72.43 107.381 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.426 HD21 ' NE2' ' A' ' 51' ' ' GLN . 47.0 t30 -109.23 135.54 50.15 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.493 0.717 . . . . 74.42 109.606 -175.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 p -94.84 112.11 23.85 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.957 0.903 . . . . 71.44 109.31 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.6 m -134.53 168.85 18.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 74.14 110.36 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -92.51 -32.79 14.73 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.453 0.701 . . . . 73.52 110.645 172.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.38 -129.13 0.24 Allowed Glycine 0 C--N 1.354 1.578 0 O-C-N 123.517 0.511 . . . . 63.35 113.451 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -58.64 -34.51 71.26 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.805 0.842 . . . . 71.0 110.875 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m 61.15 31.32 19.65 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 124.781 1.3 . . . . 73.24 109.955 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -72.96 113.55 10.12 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 114.978 -1.01 . . . . 75.22 109.41 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 7.4 p-10 -72.27 164.69 25.84 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.756 -1.111 . . . . 75.55 109.833 174.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -126.81 111.74 14.55 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.234 0.613 . . . . 73.04 109.456 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 61.9 m -120.16 130.2 54.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.15 0.58 . . . . 45.11 110.315 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -124.02 146.89 48.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.51 1.124 . . . . 71.5 108.267 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.1 m -132.21 116.12 16.55 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.435 0.562 . . . . 75.33 109.884 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.54 133.34 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.287 1.035 . . . . 73.32 109.056 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -87.24 -6.03 58.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.01 0.524 . . . . 64.54 110.988 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.51 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 m -128.48 143.35 50.97 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.392 0.677 . . . . 74.31 110.547 -175.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.42 -45.46 88.4 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.232 1.413 . . . . 71.31 112.427 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -65.71 -30.78 71.51 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.195 0.998 . . . . 54.12 112.927 -173.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 17.1 mm-40 -69.22 -37.42 78.03 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.906 0.883 . . . . 75.32 111.113 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -57.45 -39.14 75.66 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.502 -1.226 . . . . 74.4 112.614 -177.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -65.49 -18.9 65.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.851 -0.613 . . . . 71.23 111.79 -171.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.81 -42.95 18.97 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.611 0.764 . . . . 74.02 110.421 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.1 m -65.95 -22.52 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 122.835 0.454 . . . . 72.41 111.444 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' A' ' 78' ' ' VAL . 3.8 mm? -71.51 -41.6 69.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.001 0.92 . . . . 75.32 111.405 175.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.32 -37.46 87.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.22 0.608 . . . . 72.53 110.056 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.7 -50.1 68.29 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.505 -0.77 . . . . 72.31 110.136 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.72 -39.62 74.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.7 1.2 . . . . 74.44 111.514 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -55.93 -54.13 48.5 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.56 1.144 . . . . 74.43 111.57 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.21 -39.03 82.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.293 0.996 . . . . 72.11 110.883 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -66.54 -38.56 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.448 0.699 . . . . 70.23 111.142 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.97 -47.48 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.803 0.841 . . . . 73.02 110.221 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.62 -26.6 65.43 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.094 0.558 . . . . 70.43 111.778 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -32.0 73.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.824 0.85 . . . . 75.42 111.143 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.426 ' NE2' HD21 ' A' ' 18' ' ' ASN . 7.2 pt20 -106.02 119.41 39.13 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.766 0.827 . . . . 74.01 109.602 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.53 74.26 1.1 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.874 -0.49 . . . . 75.42 111.874 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.9 m -93.32 179.78 5.3 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.721 1.208 . . . . 72.51 111.33 -174.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 3.4 mmmp? -76.64 -70.53 0.45 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.745 0.818 . . . . 73.5 111.01 -177.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -153.16 150.11 28.73 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.353 0.661 . . . . 73.32 110.695 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.594 ' HB3' HD22 ' A' ' 16' ' ' ASN . 35.6 m -120.39 119.17 32.28 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.969 0.908 . . . . 65.41 110.625 -174.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -102.51 109.6 21.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.519 0.728 . . . . 75.52 110.228 -177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 m -103.86 129.81 51.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.951 0.5 . . . . 73.51 109.841 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -127.3 119.1 25.52 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.433 -1.321 . . . . 63.41 107.433 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' A' ' 71' ' ' PHE . 37.0 mt -113.32 132.52 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.731 0.812 . . . . 74.12 110.113 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.468 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.0 m -54.7 119.85 5.91 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.359 1.064 . . . . 73.34 112.422 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.02 146.95 52.56 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.369 -1.345 . . . . 64.11 107.369 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -100.21 -27.0 13.74 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.549 -0.537 . . . . 74.31 109.549 173.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.0 p -130.58 160.52 33.93 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 124.745 1.218 . . . . 63.24 109.079 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 13.8 ptmm? -73.32 -23.2 60.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.627 0.371 . . . . 74.23 111.86 -174.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.63 -34.88 72.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.833 0.453 . . . . 72.43 111.209 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.97 93.18 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.5 -0.556 . . . . 64.14 109.5 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . . . -63.11 -28.13 69.86 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.117 -0.947 . . . . 74.13 111.78 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 58.4 mm-40 -70.28 -53.13 18.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.835 0.454 . . . . 72.43 111.859 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' NZ ' ' HE1' ' A' ' 71' ' ' PHE . 20.7 pttp -69.69 -32.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.429 0.529 . . . . 74.02 112.429 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 60' ' ' ILE . 36.3 m-85 -76.34 -28.48 56.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.484 0.314 . . . . 73.12 111.092 174.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 96' ' ' VAL . . . -66.32 -41.27 89.91 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 109.837 -0.431 . . . . 73.24 109.837 171.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.62 94.85 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.132 0.573 . . . . 74.44 110.483 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.493 HG22 ' HG ' ' A' ' 41' ' ' LEU . 96.5 mt -62.48 -42.67 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.077 0.951 . . . . 74.43 110.561 174.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 HD13 ' HB ' ' A' ' 98' ' ' VAL . 26.8 mt -63.06 -57.71 9.73 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.88 0.872 . . . . 72.12 111.588 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.7 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -51.48 -36.74 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.177 1.391 . . . . 65.52 111.703 -176.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.29 -48.64 79.01 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.477 0.711 . . . . 75.21 112.094 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 41' ' ' LEU . 58.4 t -64.48 -51.14 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.408 1.083 . . . . 62.32 110.441 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.463 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 5.3 m-85 -72.91 -16.56 61.56 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.643 -1.617 . . . . 71.45 111.788 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.58 75.8 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.748 0.819 . . . . 71.43 110.896 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.73 -27.25 64.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.61 0.764 . . . . 70.54 110.671 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.8 mt -92.67 -26.72 17.68 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.741 0.816 . . . . 74.41 111.379 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.68 -32.51 3.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.813 -0.437 . . . . 65.51 114.024 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 63.52 17.37 10.31 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.356 1.062 . . . . 75.12 112.444 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -142.47 -175.72 4.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.32 1.048 . . . . 72.34 109.985 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.46 130.02 44.84 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.273 -0.876 . . . . 75.41 108.833 168.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.7 ' HB ' HG13 ' A' ' 76' ' ' ILE . 48.5 mm -99.49 143.58 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.626 0.648 . . . . 74.11 110.045 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -88.08 126.16 34.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.936 0.894 . . . . 70.12 110.161 -167.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.0 p -122.2 137.57 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 124.396 1.079 . . . . 74.1 109.684 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 m -142.2 152.64 43.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.22 1.008 . . . . 74.14 108.529 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -127.81 128.1 44.68 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.051 0.54 . . . . 75.53 109.638 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.17 142.71 13.3 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.666 0.787 . . . . 74.25 109.644 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.37 33.75 88.08 Favored Glycine 0 C--N 1.345 1.028 0 O-C-N 123.458 0.474 . . . . 62.1 112.731 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 69.36 2.17 3.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 125.298 1.439 . . . . 73.35 111.614 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.6 m -116.64 142.44 46.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.535 1.134 . . . . 60.32 109.705 -165.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.549 HG22 ' HB1' ' A' ' 72' ' ' ALA . 3.4 p -92.6 114.22 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.281 0.562 . . . . 72.3 110.634 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -108.2 104.75 14.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.108 0.963 . . . . 75.1 110.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 75' ' ' LEU . 38.7 t -99.8 123.03 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.16 0.984 . . . . 73.11 109.447 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.3 118.21 5.46 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.7 -0.852 . . . . 64.4 108.7 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.44 -146.47 18.97 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.684 0.615 . . . . 41.51 113.111 172.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -148.46 151.76 35.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.467 0.707 . . . . 75.0 110.789 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.9 mt -82.13 154.87 25.31 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.199 0.999 . . . . 75.22 111.653 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -105.81 -170.08 1.68 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.473 1.109 . . . . 71.54 110.495 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.29 74.85 1.29 Allowed Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.277 -0.329 . . . . 73.4 112.277 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -72.4 93.05 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 CA-C-O 121.73 0.776 . . . . 72.25 110.095 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.714 -0.675 . . . . 73.54 109.466 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HB2' ' HD2' ' A' ' 3' ' ' HIS . 24.5 ptt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.819 0.342 . . . . 75.1 110.626 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -137.01 50.01 2.02 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.069 0.948 . . . . 74.32 108.802 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 10.6 m-70 -71.15 103.57 2.81 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.111 -0.95 . . . . 73.11 111.167 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -130.37 99.81 5.15 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 106.476 -1.676 . . . . 63.43 106.476 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 97.68 0.28 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.386 -0.598 . . . . 75.12 109.386 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.0 163.48 29.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.456 0.703 . . . . 52.24 110.917 -170.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -103.28 -34.24 8.86 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.275 -0.875 . . . . 60.23 109.291 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -137.86 -57.17 0.67 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.847 0.859 . . . . 73.24 111.301 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 m 62.77 34.3 14.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.176 0.99 . . . . 71.21 109.482 -162.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.93 141.66 9.61 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.038 -0.983 . . . . 71.14 111.45 -168.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.51 157.33 26.16 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.577 0.751 . . . . 74.31 110.941 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HB ' HG21 ' A' ' 31' ' ' VAL . 37.7 mt -97.62 101.42 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 108.276 -1.009 . . . . 73.4 108.276 174.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -101.04 117.31 34.77 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.339 0.655 . . . . 72.43 109.429 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 60' ' ' ILE . 67.7 t -92.94 106.82 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.917 1.287 . . . . 74.45 108.536 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' HA ' HG22 ' A' ' 28' ' ' THR . 96.4 mt-30 -99.0 106.02 18.23 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.855 -0.795 . . . . 71.12 108.855 174.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 19.9 t-20 -107.63 143.05 36.64 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.886 -0.783 . . . . 73.44 108.886 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -138.68 139.64 38.52 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.806 -1.183 . . . . 65.24 107.806 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.54 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.8 m-20 -122.32 128.46 51.07 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.603 0.761 . . . . 65.01 109.731 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.1 m -95.45 110.16 22.25 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.221 1.009 . . . . 73.21 109.292 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -160.53 -177.26 6.08 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.12 1.368 . . . . 72.5 108.803 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.64 158.04 13.34 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.271 0.629 . . . . 75.31 110.66 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.97 146.96 9.19 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.12 -0.822 . . . . 71.04 112.595 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt 89.94 -3.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 126.569 1.948 . . . . 75.11 110.748 -170.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -66.11 144.32 56.76 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.978 0.418 . . . . 65.53 110.889 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -112.86 134.53 54.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.668 0.787 . . . . 65.54 110.11 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 6.5 p-10 -93.27 155.91 17.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.473 -0.936 . . . . 75.11 108.473 171.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -117.92 63.74 0.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.189 0.518 . . . . 63.31 110.568 -173.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 15' ' ' GLN . 98.9 m -86.11 119.01 25.93 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.059 -0.519 . . . . 74.4 109.994 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.09 161.53 27.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.735 1.214 . . . . 65.1 109.566 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -131.16 119.4 21.83 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.364 -0.606 . . . . 75.42 109.364 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.551 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 27.1 m -108.89 150.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.172 0.989 . . . . 75.51 109.073 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 t -94.86 -11.77 28.17 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.355 0.502 . . . . 71.21 112.355 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.59 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 37.6 m -145.34 155.21 43.05 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.236 0.614 . . . . 75.14 110.805 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 40.6 mt-10 -59.28 -37.79 78.54 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.798 1.239 . . . . 74.41 112.034 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -56.33 -48.63 76.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.686 0.794 . . . . 73.3 110.598 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.59 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 8.3 mm-40 -67.4 -25.54 65.99 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.217 -0.901 . . . . 74.52 110.909 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' HA ' HG12 ' A' ' 40' ' ' VAL . 39.1 tp -70.15 -41.89 73.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.419 0.688 . . . . 63.02 111.023 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -63.51 -32.75 74.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.763 -0.653 . . . . 71.53 110.566 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.42 -48.64 39.67 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.594 -0.73 . . . . 75.41 110.697 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.3 p -68.45 -35.08 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 119.531 -0.271 . . . . 73.1 111.319 -173.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 78' ' ' VAL . 3.6 mm? -72.92 -30.97 64.31 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.909 0.484 . . . . 74.31 111.547 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.98 -48.83 80.0 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.419 0.688 . . . . 71.44 110.171 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.14 -30.01 54.89 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.127 -0.488 . . . . 75.1 111.104 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.0 -33.96 75.31 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.625 0.77 . . . . 75.54 111.141 -175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.97 -37.33 61.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.377 1.071 . . . . 74.43 111.755 174.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.74 -44.33 77.81 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.124 0.97 . . . . 75.21 110.76 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -67.39 -41.16 85.45 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.444 0.698 . . . . 73.21 111.89 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.41 -21.94 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.017 0.527 . . . . 72.33 110.184 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -70.59 -41.89 71.73 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.321 0.582 . . . . 72.43 109.857 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.5 -40.8 89.44 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.636 -1.166 . . . . 75.23 110.711 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -121.08 70.5 0.92 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.861 0.865 . . . . 71.24 108.927 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.47 79.88 0.91 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-N 114.714 -1.13 . . . . 74.42 111.872 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 18' ' ' ASN . 7.2 m -66.74 154.72 40.01 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.544 0.737 . . . . 73.15 111.719 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -29.1 67.71 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 114.751 -1.113 . . . . 74.53 110.134 -175.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -136.99 126.62 25.33 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.392 -0.966 . . . . 72.21 108.392 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -137.71 116.26 12.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.208 0.603 . . . . 62.04 109.952 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.28 142.75 27.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.704 0.801 . . . . 74.44 109.895 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.9 m -140.03 120.47 14.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.589 0.756 . . . . 73.35 109.052 168.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -116.15 130.69 56.92 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.056 0.942 . . . . 74.54 110.057 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.423 HG12 HG22 ' A' ' 14' ' ' VAL . 21.6 mt -114.06 132.5 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.248 0.619 . . . . 70.43 109.776 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 m -64.69 106.64 1.23 Allowed 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.856 0.863 . . . . 72.34 110.834 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . . . -102.3 86.7 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.662 -1.154 . . . . 74.23 109.818 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' NH1' HG12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -63.68 -25.27 68.14 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.056 -0.52 . . . . 73.0 110.782 -175.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 p -128.41 162.18 27.74 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 124.471 1.108 . . . . 73.13 108.658 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -62.04 -23.25 66.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.21 0.604 . . . . 74.22 110.754 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -50.92 71.54 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.135 0.974 . . . . 75.2 109.448 176.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 12.2 mm-40 -60.07 -42.93 95.59 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.393 1.058 . . . . 74.43 109.938 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.521 ' HB2' ' HD1' ' A' ' 91' ' ' TRP . . . -56.31 -44.59 80.07 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.793 0.837 . . . . 74.13 112.456 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -72.94 -53.42 11.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.153 0.581 . . . . 75.15 112.109 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 56.4 pttt -72.18 -30.4 64.94 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.381 -0.372 . . . . 73.33 111.994 -172.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.6 m-30 -86.13 -17.88 33.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.494 0.318 . . . . 73.31 111.837 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' HB3' HG22 ' A' ' 89' ' ' VAL . . . -60.47 -44.16 96.19 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.08 -0.711 . . . . 73.4 109.08 167.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.52 70.44 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.484 -0.78 . . . . 71.44 112.004 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.46 -50.34 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.408 0.683 . . . . 75.44 110.534 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.41 -39.15 91.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.616 0.767 . . . . 75.35 112.302 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.5 mp -63.47 -38.67 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.494 0.717 . . . . 74.1 109.934 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -65.28 -46.67 79.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.556 0.742 . . . . 72.42 111.099 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.491 HG22 HD12 ' A' ' 41' ' ' LEU . 54.7 t -65.87 -48.86 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.894 0.878 . . . . 71.15 110.973 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -70.68 -21.25 62.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.524 0.564 . . . . 73.35 112.524 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -33.86 72.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.848 0.459 . . . . 73.34 110.503 176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.24 -11.37 60.26 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 63.51 111.636 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.94 -25.91 13.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.26 1.024 . . . . 64.5 110.266 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.26 122.41 1.28 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 110.635 -0.986 . . . . 72.43 110.635 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -66.38 -9.73 36.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.588 1.155 . . . . 75.33 112.607 -172.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.1 157.6 30.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.87 0.868 . . . . 71.4 111.417 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.36 130.35 42.78 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 107.471 -1.307 . . . . 74.35 107.471 166.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.581 ' HB ' HG13 ' A' ' 76' ' ' ILE . 38.9 mm -89.99 150.3 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.348 0.659 . . . . 71.23 110.363 -170.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.466 ' HA ' ' HB2' ' A' ' 102' ' ' LEU . 40.1 t30 -87.38 132.7 33.88 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.995 0.518 . . . . 73.42 110.039 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.575 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.2 p -133.31 143.33 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.159 0.984 . . . . 73.25 109.416 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -147.02 148.06 31.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.683 1.193 . . . . 64.0 108.231 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.521 ' HD1' ' HB2' ' A' ' 68' ' ' ALA . 30.5 m-90 -119.48 117.18 27.75 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.952 0.501 . . . . 74.54 109.862 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.13 -47.18 74.96 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.435 0.635 . . . . 74.11 109.974 172.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.21 -70.39 0.31 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.691 -1.364 . . . . 72.13 109.691 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.78 2.67 55.85 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.079 0.552 . . . . 63.3 110.951 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 m -144.44 148.78 35.02 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 109.248 -0.649 . . . . 75.15 109.248 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.6 p -113.48 126.62 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.994 0.917 . . . . 74.14 109.431 172.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.6 m -108.26 137.02 46.95 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 74.11 110.136 176.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.62 114.19 24.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.783 -1.192 . . . . 73.42 107.783 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.59 117.76 8.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.24 0.616 . . . . 74.35 109.773 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.92 -149.11 39.06 Favored Glycine 0 C--N 1.345 1.059 0 O-C-N 123.425 0.453 . . . . 73.15 113.227 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 87' ' ' ILE . 14.9 pm0 -128.52 142.79 50.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.406 0.683 . . . . 64.21 110.503 -176.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 88' ' ' ASN . 47.9 tp -88.67 110.82 21.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.585 0.754 . . . . 75.45 109.683 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.38 142.37 32.42 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.457 1.103 . . . . 53.12 108.679 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.53 -151.43 23.54 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 111.166 -0.774 . . . . 53.13 111.166 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 t 63.74 92.33 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.72 1.208 . . . . 65.33 110.689 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 108.556 -0.905 . . . . 63.31 108.556 -179.838 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.074 -0.343 . . . . 75.15 110.074 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -73.31 141.95 47.13 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.441 -0.948 . . . . 74.45 108.441 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -58.93 -28.65 66.45 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.088 0.555 . . . . 65.2 111.641 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -87.34 3.75 45.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.935 0.894 . . . . 75.14 111.965 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -65.12 -18.61 65.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.945 -0.472 . . . . 74.04 111.761 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.5 162.2 25.43 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.13 1.372 . . . . 74.3 108.479 173.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -59.65 -42.19 92.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.15 0.58 . . . . 74.11 111.198 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -70.62 74.27 0.56 Allowed 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.894 0.746 . . . . 74.42 110.349 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -73.22 -48.92 30.99 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.494 0.718 . . . . 72.43 110.351 -175.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 -56.59 4.91 Favored Glycine 0 C--N 1.352 1.448 0 O-C-N 123.672 0.608 . . . . 74.51 112.73 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -70.94 162.79 28.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 71.3 111.322 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 ' HB ' HG22 ' A' ' 31' ' ' VAL . 46.2 mt -101.94 102.97 14.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.092 -1.077 . . . . 74.44 108.092 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -87.69 119.43 28.0 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.048 -0.723 . . . . 75.12 109.048 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.49 123.68 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.122 0.969 . . . . 74.54 109.479 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -127.38 120.97 29.7 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.242 -1.022 . . . . 73.42 108.242 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.591 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.6 t-20 -103.58 123.5 47.07 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.652 -0.87 . . . . 73.51 108.652 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.619 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -117.86 109.66 16.82 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 108.653 -0.869 . . . . 73.52 108.653 173.725 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -99.37 113.6 26.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 105.485 -2.042 . . . . 75.24 105.485 171.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.622 HG21 ' HG2' ' A' ' 55' ' ' ARG . 11.2 t -93.13 122.58 35.66 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.851 0.834 . . . . 74.23 109.493 -169.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -164.31 171.13 15.26 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.25 -1.341 . . . . 75.12 109.61 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.78 109.27 1.18 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.011 0.525 . . . . 75.33 110.166 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.4 -64.85 0.55 Allowed Glycine 0 C--N 1.337 0.6 0 N-CA-C 110.87 -0.892 . . . . 72.32 110.87 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.23 8.91 2.93 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.131 1.372 . . . . 73.3 113.751 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -86.05 94.36 9.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.469 0.708 . . . . 63.5 110.148 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CE1' ' HA ' ' A' ' 17' ' ' ASN . 48.0 p90 -168.08 177.68 5.44 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 74.44 110.55 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -127.69 -65.05 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.064 0.945 . . . . 75.24 109.539 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.591 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.4 m-85 57.28 37.7 28.3 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.13 0.972 . . . . 71.33 111.468 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -102.43 129.59 48.96 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.857 -1.065 . . . . 54.32 110.273 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -128.24 147.13 50.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.472 1.109 . . . . 72.22 108.465 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.1 m -129.75 104.62 7.52 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.65 -1.241 . . . . 73.02 107.65 172.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 12' ' ' ILE . 35.9 m -113.64 128.92 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.645 0.778 . . . . 74.33 109.493 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -93.89 -12.14 29.53 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.208 0.603 . . . . 61.21 110.484 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.668 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 90.5 m -128.0 138.68 52.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.782 0.833 . . . . 75.21 109.429 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 44.7 mt-10 -65.62 -29.94 70.58 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.203 1.001 . . . . 75.23 111.755 -176.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 m -60.08 -40.13 88.5 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.32 0.648 . . . . 63.53 110.98 175.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.668 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 3.7 mm-40 -68.91 -33.32 73.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.348 0.659 . . . . 75.43 110.063 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HA ' HG23 ' A' ' 40' ' ' VAL . 51.5 tp -63.05 -40.01 96.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.721 0.808 . . . . 71.31 110.948 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.22 -36.42 84.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.497 0.719 . . . . 71.24 110.876 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -65.73 -53.06 45.88 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.607 0.763 . . . . 74.24 110.582 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.406 HG23 ' HA ' ' A' ' 37' ' ' LEU . 21.2 m -67.51 -27.15 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 123.818 0.698 . . . . 63.24 111.758 -172.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HB3' HG22 ' A' ' 78' ' ' VAL . 2.4 mm? -74.78 -36.77 62.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.512 0.725 . . . . 64.12 111.317 176.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -70.1 -38.44 75.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.076 0.55 . . . . 75.54 110.735 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.49 -36.61 44.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.917 0.487 . . . . 75.44 110.632 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 16' ' ' ASN . 42.7 tp -59.91 -36.34 76.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.874 0.87 . . . . 70.34 110.868 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB2' HG12 ' A' ' 78' ' ' VAL . 37.5 ttpt -45.05 -49.81 11.26 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.808 1.643 . . . . 75.32 111.815 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.29 -38.42 89.3 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.951 0.782 . . . . 73.11 111.543 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.91 -39.66 55.82 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.999 0.92 . . . . 73.01 112.033 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.47 -41.79 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.519 0.676 . . . . 73.35 109.238 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HB2' HD22 ' A' ' 82' ' ' LEU . 70.6 tttt -67.82 -39.7 83.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.209 -1.36 . . . . 75.34 110.714 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -67.87 -37.4 81.75 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.005 -0.998 . . . . 75.21 111.199 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -70.74 89.31 0.74 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.028 -1.101 . . . . 72.1 108.028 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.71 74.13 0.77 Allowed Glycine 0 C--N 1.349 1.268 0 O-C-N 124.106 0.879 . . . . 61.2 113.323 -173.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.0 m -140.57 -13.24 1.0 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.806 1.242 . . . . 74.55 109.458 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt 55.55 70.43 0.63 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.703 1.601 . . . . 75.42 112.628 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.622 ' HG2' HG21 ' A' ' 19' ' ' THR . 5.7 tpp180 -141.16 139.65 33.93 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 114.986 -1.006 . . . . 75.22 109.109 171.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 99' ' ' GLU . 24.6 p -114.91 118.9 34.79 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.679 1.192 . . . . 73.51 108.868 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.619 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 30.8 ttm180 -150.3 110.31 4.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.593 -0.521 . . . . 74.42 109.593 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' THR . 96.0 m -135.15 121.37 20.18 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 109.193 -0.669 . . . . 71.31 109.193 173.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m -95.21 120.89 36.21 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.868 1.355 . . . . 64.25 109.172 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.39 126.15 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 123.544 0.737 . . . . 73.43 109.136 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.42 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 53.0 m -67.82 114.68 6.6 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 120.897 0.379 . . . . 74.02 110.436 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.16 107.63 18.34 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.268 1.027 . . . . 63.01 108.347 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.21 -27.14 68.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.972 0.509 . . . . 75.34 111.062 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -132.55 163.48 28.75 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.205 1.002 . . . . 73.5 109.376 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.1 ptpp? -67.3 -21.18 65.69 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.671 0.388 . . . . 74.0 110.958 174.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -65.89 -39.93 91.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.106 0.962 . . . . 74.31 109.785 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.8 mt-10 -68.97 -37.36 78.74 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.51 -1.223 . . . . 62.11 110.874 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.07 71.07 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.788 0.68 . . . . 74.15 111.997 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 35.2 mm-40 -79.36 -49.84 11.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.947 0.499 . . . . 64.22 111.973 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -69.23 -29.1 66.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.449 -0.341 . . . . 74.42 110.861 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.1 m-30 -88.92 -19.38 25.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.943 0.497 . . . . 75.15 111.791 177.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.47 -45.97 91.78 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.037 -1.097 . . . . 63.51 108.037 167.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -57.44 -44.0 84.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 124.279 0.987 . . . . 74.32 111.2 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.46 -52.18 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.347 0.659 . . . . 74.22 110.781 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.9 -49.93 75.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.929 0.891 . . . . 72.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.507 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -54.78 -41.26 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.85 0.86 . . . . 74.4 110.854 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.5 mtpt -68.4 -42.23 79.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.455 0.702 . . . . 73.43 111.895 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 41' ' ' LEU . 72.5 t -65.75 -45.93 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.281 0.632 . . . . 75.34 110.651 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CD1' HD12 ' A' ' 82' ' ' LEU . 55.2 m-85 -73.39 -18.23 61.18 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.733 -0.667 . . . . 71.35 112.138 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.25 77.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.077 0.551 . . . . 74.0 110.756 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -78.48 -19.03 53.95 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.495 0.718 . . . . 65.2 111.142 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD22 ' HB2' ' A' ' 49' ' ' LYS . 76.8 mt -91.31 -23.09 20.23 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.756 0.822 . . . . 73.4 111.414 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.47 156.0 23.38 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.305 0.378 . . . . 73.3 112.314 177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.07 -9.3 58.11 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.561 0.744 . . . . 72.44 110.648 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.83 135.69 47.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.957 0.903 . . . . 75.14 110.612 172.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.15 131.15 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.896 0.747 . . . . 74.02 109.277 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.507 ' HB ' HG13 ' A' ' 76' ' ' ILE . 11.9 mm -84.99 133.26 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.287 0.635 . . . . 74.25 110.495 -168.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.632 ' HA ' ' HB2' ' A' ' 102' ' ' LEU . 46.4 t30 -89.15 145.34 25.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.931 0.492 . . . . 75.22 109.683 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.2 p -132.6 121.88 46.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.631 0.772 . . . . 72.42 109.014 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -130.44 132.44 45.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.966 0.906 . . . . 71.44 109.351 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -101.21 113.11 25.85 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.188 -1.041 . . . . 73.22 108.188 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.48 -36.76 60.56 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.885 0.874 . . . . 64.12 110.749 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.28 101.98 2.37 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 108.838 -1.705 . . . . 74.44 108.838 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 72.45 2.67 4.43 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.574 1.55 . . . . 63.55 112.171 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -145.36 148.93 33.92 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.414 1.086 . . . . 72.2 108.225 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.9 109.24 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 108.663 -0.866 . . . . 63.11 108.663 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 58' ' ' THR . 96.9 m -100.77 126.09 47.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.341 0.656 . . . . 73.31 110.255 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 57' ' ' ARG . 14.3 t -92.17 121.08 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 107.143 -1.429 . . . . 74.22 107.143 165.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.506 ' HA ' ' O ' ' A' ' 56' ' ' SER . 3.6 tm-20 -133.64 119.02 18.87 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.224 -0.658 . . . . 65.13 109.224 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.97 -148.07 50.79 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 123.41 0.444 . . . . 70.01 113.406 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -111.8 148.01 34.49 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.658 0.783 . . . . 71.14 111.009 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' A' ' 88' ' ' ASN . 50.0 tp -91.18 139.95 30.27 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.037 0.935 . . . . 74.13 109.388 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.2 28.89 4.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.286 1.035 . . . . 71.1 109.265 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.51 ' H ' ' HG ' ' A' ' 102' ' ' LEU . . . -77.39 68.5 2.67 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.668 0.651 . . . . 73.24 112.743 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 m -105.51 138.51 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.557 1.143 . . . . 72.34 109.096 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 123.295 0.638 . . . . 72.12 110.114 -179.332 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.363 -0.606 . . . . 71.3 109.363 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.94 142.55 36.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.133 0.973 . . . . 63.24 108.441 170.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -66.21 -38.35 87.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.85 0.86 . . . . 70.31 110.387 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -146.97 174.09 11.83 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.85 -1.068 . . . . 71.24 109.148 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -145.04 -71.43 0.27 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.867 -0.42 . . . . 74.11 109.867 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -140.64 -80.53 0.26 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.317 0.647 . . . . 74.54 109.283 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.09 -176.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.921 1.688 . . . . 73.11 107.875 -175.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' HG3' HD11 ' A' ' 12' ' ' ILE . 11.5 mmt180 -134.44 104.5 6.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.163 -1.051 . . . . 74.23 108.163 169.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.04 111.06 1.18 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.743 1.217 . . . . 74.02 110.029 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 91.34 0.73 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.439 -1.464 . . . . 54.51 109.439 -166.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.05 150.93 23.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.418 1.087 . . . . 72.25 112.907 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD11 ' HG3' ' A' ' 8' ' ' ARG . 19.4 mt -95.72 105.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.279 -0.873 . . . . 74.33 109.218 -175.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -86.34 137.93 32.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.418 -0.586 . . . . 73.34 109.418 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 28' ' ' THR . 63.5 t -118.35 107.23 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.684 -1.228 . . . . 74.23 107.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' HG2' HG23 ' A' ' 28' ' ' THR . 45.0 mt-30 -106.36 107.32 18.27 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.914 -0.402 . . . . 75.32 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.5 t-20 -105.4 139.28 40.26 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.458 -0.571 . . . . 63.31 109.458 173.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -114.85 108.76 17.17 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.071 -1.455 . . . . 72.51 107.071 172.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.582 HD22 ' HB2' ' A' ' 51' ' ' GLN . 54.1 t30 -100.84 142.69 31.96 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.876 -0.786 . . . . 75.54 108.876 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.8 p -94.73 124.05 38.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.569 -0.741 . . . . 75.24 110.314 -171.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.3 m 66.48 72.93 0.37 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.709 1.204 . . . . 72.14 111.113 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.455 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 28.5 t30 -85.76 123.28 30.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.172 -0.922 . . . . 71.13 109.611 177.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.19 -74.07 0.63 Allowed Glycine 0 C--N 1.349 1.262 0 O-C-N 123.978 0.799 . . . . 33.4 111.478 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -158.9 98.19 1.46 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.148 0.979 . . . . 74.31 109.476 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -159.44 172.11 18.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.683 0.793 . . . . 72.01 109.343 168.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -73.41 173.51 9.5 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.233 0.613 . . . . 73.3 111.261 -176.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.06 145.08 52.12 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.667 -0.697 . . . . 75.35 111.442 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 -90.6 12.07 20.02 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.005 -0.998 . . . . 74.42 110.432 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 87.7 m -93.05 118.75 31.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.948 0.899 . . . . 72.33 109.449 170.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.2 130.12 38.67 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.159 0.984 . . . . 74.42 108.738 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.8 m -97.43 109.56 22.29 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.87 -0.789 . . . . 52.4 108.87 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.8 m -101.01 133.99 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.793 0.837 . . . . 75.44 109.468 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.8 t -88.35 -14.0 39.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.438 0.532 . . . . 75.12 112.438 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.6 m -142.63 155.76 44.99 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.47 0.708 . . . . 72.32 109.792 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.3 -30.57 71.68 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.69 1.196 . . . . 70.12 112.047 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 p -59.6 -49.53 77.4 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.781 0.675 . . . . 74.35 109.524 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.2 mm-40 -58.51 -32.94 69.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.324 1.05 . . . . 74.45 111.497 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.46 ' HA ' HG13 ' A' ' 40' ' ' VAL . 5.9 tt -74.49 -40.99 61.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.015 0.526 . . . . 74.41 110.929 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -58.19 -42.23 85.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.343 0.657 . . . . 74.41 110.374 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.95 -52.97 57.26 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.019 -0.991 . . . . 74.44 110.856 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.46 HG13 ' HA ' ' A' ' 37' ' ' LEU . 4.8 p -68.73 -30.52 47.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 123.435 0.459 . . . . 74.0 111.686 -172.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 78' ' ' VAL . 1.6 mm? -73.28 -39.72 65.15 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.039 0.535 . . . . 72.25 111.37 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.63 -35.57 80.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.563 -0.744 . . . . 73.43 110.966 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.54 -39.61 18.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.469 0.308 . . . . 73.01 111.789 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.2 -29.43 70.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.409 0.684 . . . . 72.1 110.349 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -43.28 -45.58 5.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.67 1.588 . . . . 64.12 111.727 170.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.92 -45.3 64.48 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.619 -1.173 . . . . 70.44 111.574 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.83 -39.89 93.4 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.568 0.747 . . . . 75.21 111.542 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 HG23 ' HG ' ' A' ' 56' ' ' SER . 98.7 mt -66.09 -48.63 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.915 0.886 . . . . 75.45 110.145 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HB2' HD22 ' A' ' 82' ' ' LEU . 58.9 tttp -75.26 -22.51 57.76 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.35 0.5 . . . . 71.43 112.35 -177.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -61.45 -33.33 73.56 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.98 0.895 . . . . 65.24 109.805 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.582 ' HB2' HD22 ' A' ' 18' ' ' ASN . 36.5 mt-30 -118.23 -150.56 0.46 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.994 1.718 . . . . 74.0 107.731 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.28 88.7 1.59 Allowed Glycine 0 C--N 1.344 1.022 0 CA-C-N 118.285 0.493 . . . . 74.44 112.393 173.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.6 p -78.0 -23.91 48.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.72 . . . . 72.34 110.645 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -130.65 -157.52 0.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.575 1.55 . . . . 74.5 107.619 171.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.7 150.45 20.67 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.998 -0.439 . . . . 73.2 109.925 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HG ' HG23 ' A' ' 48' ' ' ILE . 33.9 m -100.98 149.13 24.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.593 0.757 . . . . 70.45 111.474 -176.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -105.39 150.21 25.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.392 1.077 . . . . 75.02 109.725 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.3 m -140.18 131.42 26.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.883 0.473 . . . . 74.51 110.042 165.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 t -117.25 119.89 36.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.785 -1.191 . . . . 62.53 107.785 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.45 HD11 HD11 ' A' ' 37' ' ' LEU . 41.8 mt -111.68 140.68 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.737 0.815 . . . . 72.32 109.713 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -58.06 105.89 0.32 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.829 1.251 . . . . 74.15 112.225 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.67 100.93 12.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.174 0.99 . . . . 65.14 110.016 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HB2' ' HG3' ' A' ' 67' ' ' GLU . 39.5 mmt180 -70.45 -36.78 74.14 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.428 -0.806 . . . . 71.11 110.535 177.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.5 p -135.3 176.92 8.23 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.625 1.17 . . . . 72.42 109.085 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.475 0.484 . . . . 74.45 110.202 169.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.89 -45.19 95.58 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.808 0.843 . . . . 73.04 111.022 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.563 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 28.8 mm-40 -62.34 -43.17 99.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.369 0.604 . . . . 74.54 110.337 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' HB2' ' HD1' ' A' ' 91' ' ' TRP . . . -60.27 -48.96 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.918 -1.492 . . . . 71.32 112.188 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.47 -31.24 33.07 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.019 0.527 . . . . 71.22 111.933 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 58.9 pttt -73.18 -36.07 66.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.655 0.264 . . . . 74.05 110.354 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 74' ' ' ILE . 19.3 m-30 -88.99 -18.34 27.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.99 0.516 . . . . 74.53 111.783 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -62.88 -40.98 99.16 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 108.66 -0.867 . . . . 74.3 108.66 166.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.93 88.09 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.636 -0.711 . . . . 52.53 111.205 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 71' ' ' PHE . 58.0 mt -62.87 -62.83 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.267 0.627 . . . . 73.11 110.018 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 97.8 mt -53.57 -40.4 65.57 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.581 1.152 . . . . 74.5 113.131 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.737 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -62.04 -48.15 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.168 0.587 . . . . 73.34 110.413 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -71.04 -35.48 71.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.263 0.625 . . . . 74.53 112.146 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 41' ' ' LEU . 76.7 t -63.92 -49.84 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.661 0.784 . . . . 74.23 109.885 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -82.79 -17.95 42.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.213 -0.903 . . . . 74.42 111.952 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.16 80.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.609 0.764 . . . . 74.11 110.631 172.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.08 -33.09 65.41 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.82 -1.082 . . . . 73.53 110.37 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 49' ' ' LYS . 31.5 mt -73.59 -26.81 60.98 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.895 -0.593 . . . . 74.21 112.122 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.01 -133.42 2.42 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.313 -0.715 . . . . 65.12 111.313 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -76.13 147.21 38.71 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.823 -1.177 . . . . 71.03 107.823 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -64.4 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.358 0.663 . . . . 73.23 111.479 -173.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.3 123.67 23.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.583 0.753 . . . . 73.4 109.472 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.2 mm -127.92 152.56 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.174 0.989 . . . . 73.11 109.941 -175.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -85.97 112.28 21.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.117 0.567 . . . . 73.22 109.644 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.737 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.3 p -107.53 130.46 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.317 0.647 . . . . 75.44 110.074 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -133.83 141.53 47.46 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.001 -1.111 . . . . 72.14 108.001 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.547 ' HD1' ' HB2' ' A' ' 68' ' ' ALA . 24.4 m-90 -114.87 114.08 25.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.362 -0.977 . . . . 74.43 108.362 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.93 -53.99 26.51 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.928 0.891 . . . . 75.32 110.47 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.34 -54.66 0.67 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.71 -1.356 . . . . 42.3 109.71 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.21 -16.57 34.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.35 0.66 . . . . 74.41 110.402 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 p -145.06 151.87 39.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.924 0.89 . . . . 70.45 111.518 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.474 HG23 ' HB1' ' A' ' 72' ' ' ALA . 3.7 p -97.66 113.77 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 N-CA-C 108.971 -0.752 . . . . 55.51 108.971 165.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 m -103.77 104.68 14.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.771 0.828 . . . . 74.44 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 72.7 t -112.18 125.63 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.697 0.799 . . . . 71.24 109.224 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.3 155.65 35.52 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 124.558 1.143 . . . . 74.44 108.477 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.94 162.16 22.9 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.395 0.434 . . . . 71.22 112.955 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.89 106.74 12.36 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.065 -0.717 . . . . 75.42 109.065 -171.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.94 101.81 11.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.239 1.016 . . . . 72.41 108.871 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -98.36 107.84 20.4 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.941 0.496 . . . . 73.24 111.017 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.5 15.51 7.16 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.752 -0.658 . . . . 73.5 112.023 172.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.1 m -130.84 159.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.045 0.938 . . . . 73.53 110.447 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.958 0.903 . . . . 65.31 109.061 179.047 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.237 0.444 0 N-CA-C 108.853 -0.795 . . . . 71.030000000000001 108.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -102.33 103.93 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.076 0.951 . . . . 64.219999999999999 108.854 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -89.46 106.04 18.19 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.49 0.716 . . . . 73.010000000000005 109.603 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.8 t -92.69 122.28 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.36 1.064 . . . . 74.010000000000005 108.46 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -128.04 122.09 31.32 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.321 0.649 . . . . 65.030000000000001 110.092 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.562 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 26.8 t-20 -114.25 129.35 56.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.629 0.772 . . . . 73.129999999999995 109.254 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -121.6 126.92 50.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.457 -1.312 . . . . 52.43 107.457 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 123.226 0.61 . . . . 61.119999999999997 111.095 -168.669 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 1.4 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.433 0.635 . . . . 72.420000000000002 111.555 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.8 m -121.75 119.26 31.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.006 0.922 . . . . 64.530000000000001 109.64 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -138.3 125.88 22.1 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.907 0.883 . . . . 74.540000000000006 109.663 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -107.82 111.3 23.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.566 0.746 . . . . 74.420000000000002 109.518 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -116.13 129.67 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.733 0.813 . . . . 71.150000000000006 110.669 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 t -88.84 -7.37 56.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.017 0.527 . . . . 72.209999999999994 110.548 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' SER . 30.7 m -140.81 137.56 33.41 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.321 0.648 . . . . 75.530000000000001 109.723 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.16 -16.02 63.03 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.054 0.761 . . . . 73.030000000000001 113.054 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.511 ' H ' HG22 ' A' ' 33' ' ' THR . 24.3 m -58.25 -41.57 84.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 122.891 0.476 . . . . 74.239999999999995 110.464 172.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 16.2 mm-40 -75.74 -34.95 60.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.064 0.946 . . . . 73.340000000000003 111.129 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.77 -35.01 42.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.382 1.073 . . . . 63.329999999999998 112.068 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.01 -47.02 81.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.4 0.68 . . . . 71.439999999999998 111.294 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -67.87 -33.57 75.0 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.887 -0.597 . . . . 64.510000000000005 111.502 179.775 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.66 -55.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 123.778 0.674 . . . . 44.049999999999997 109.64 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.566 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -70.39 -27.72 64.53 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.99 0.806 . . . . 75.150000000000006 112.737 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.48 -54.8 41.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.641 0.376 . . . . 71.420000000000002 110.459 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.58 -35.77 60.52 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.482 0.488 . . . . 64.099999999999994 110.999 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' HD11 ' A' ' 48' ' ' ILE . 30.0 tp -64.27 -49.25 72.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.653 0.781 . . . . 71.310000000000002 110.496 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.1 ttpt -52.37 -47.33 66.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.618 1.167 . . . . 64.430000000000007 111.779 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.32 -43.21 74.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.291 -1.322 . . . . 63.329999999999998 111.065 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -72.51 -49.8 30.33 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 123.558 0.743 . . . . 54.130000000000003 110.935 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.418 HD11 ' HG ' ' A' ' 44' ' ' LEU . 87.4 mt -53.2 -32.27 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.169 0.987 . . . . 61.140000000000001 111.53 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' HD22 ' A' ' 82' ' ' LEU . 84.1 tttt -60.81 -41.88 96.55 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.477 -0.783 . . . . 70.299999999999997 111.807 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 N--CA 1.481 1.095 0 C-N-CA 123.026 0.531 . . . . 65.450000000000003 111.494 177.64 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.512 0.672 . . . . 74.230000000000004 112.713 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -137.87 154.31 49.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.001 1.32 . . . . 75.310000000000002 108.513 168.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -93.67 150.06 20.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.564 0.746 . . . . 61.240000000000002 110.276 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.1 m -139.69 147.26 40.7 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.007 -1.109 . . . . 52.030000000000001 108.007 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -145.0 123.52 12.42 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.152 -1.055 . . . . 74.540000000000006 108.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.535 HG21 ' CD2' ' A' ' 71' ' ' PHE . 33.7 mt -115.01 133.0 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.606 1.162 . . . . 75.5 109.387 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.6 m -72.58 104.06 3.75 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.51 0.506 . . . . 65.310000000000002 110.443 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.4 130.44 42.19 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.356 -0.979 . . . . 61.340000000000003 108.356 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -83.12 -25.27 32.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.163 0.506 . . . . 72.140000000000001 110.179 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 p -133.38 151.12 51.81 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 124.041 0.937 . . . . 72.140000000000001 108.625 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -67.41 -18.24 65.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.075 0.55 . . . . 71.329999999999998 111.332 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.68 -39.15 93.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.757 0.823 . . . . 73.400000000000006 109.93 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 48.3 mt-10 -72.25 -39.63 68.29 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.259 -0.882 . . . . 75.439999999999998 110.367 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.26 -34.3 60.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.302 0.641 . . . . 72.040000000000006 111.653 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 52.0 mt-10 -65.95 -48.31 71.76 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.751 0.82 . . . . 74.439999999999998 112.29 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 22.0 pttp -77.69 -30.16 51.75 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.261 -0.4 . . . . 72.430000000000007 111.66 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD2' HG21 ' A' ' 60' ' ' ILE . 24.6 m-85 -72.51 -30.66 64.69 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.935 0.334 . . . . 74.25 110.142 171.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -64.48 -43.28 94.67 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 109.857 -0.423 . . . . 54.399999999999999 109.857 171.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.28 70.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 72.530000000000001 111.282 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.78 -48.04 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 124.173 0.989 . . . . 61.039999999999999 111.074 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.06 -41.71 77.23 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.214 0.606 . . . . 61.32 111.535 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.66 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.7 mp -57.7 -43.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.802 0.841 . . . . 71.109999999999999 109.225 173.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.9 -45.47 92.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.874 0.734 . . . . 51.200000000000003 111.123 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.566 HG21 HD12 ' A' ' 41' ' ' LEU . 8.6 t -60.5 -51.13 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.787 1.235 . . . . 64.010000000000005 111.583 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.01 -20.57 60.98 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.234 -0.439 . . . . 64.340000000000003 111.469 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.52 63.08 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.131 0.573 . . . . 60.130000000000003 111.085 176.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.89 -29.15 61.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.591 0.757 . . . . 45.509999999999998 110.237 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 49' ' ' LYS . 81.5 mt -78.53 -27.06 45.91 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.994 -0.548 . . . . 72.409999999999997 111.82 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.272 0 C-N-CA 121.357 -0.449 . . . . 73.329999999999998 112.832 178.826 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.66 ' HB ' HG13 ' A' ' 76' ' ' ILE . 49.0 mm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.155 -0.683 . . . . 71.349999999999994 109.155 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -86.37 125.32 33.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.618 0.767 . . . . 73.439999999999998 109.341 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.609 ' HB ' HD11 ' A' ' 76' ' ' ILE . 3.4 p -135.4 144.05 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.382 1.073 . . . . 64.120000000000005 109.859 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 t -135.78 121.06 19.08 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.346 0.659 . . . . 64.510000000000005 109.336 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.419 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 14.1 m-90 -89.26 101.32 13.98 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.578 -0.737 . . . . 71.310000000000002 109.946 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.25 -63.76 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.607 -0.886 . . . . 74.319999999999993 108.607 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.34 -56.89 0.57 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 110.768 -0.933 . . . . 22.34 110.768 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -72.73 -26.1 61.45 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.194 0.597 . . . . 63.229999999999997 109.964 170.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 p -139.41 151.65 46.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.953 0.901 . . . . 73.340000000000003 110.939 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.6 p -117.34 109.65 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.398 -0.964 . . . . 73.099999999999994 108.398 165.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.1 m -96.45 114.36 26.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.317 0.647 . . . . 62.210000000000001 109.74 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.04 127.67 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.388 1.075 . . . . 54.200000000000003 109.547 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 107.85 -1.167 . . . . 74.230000000000004 107.85 173.28 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.24 0.592 0 CA-C-O 120.98 0.419 . . . . 73.129999999999995 111.364 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 71.0 mt -74.3 101.99 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.89 -1.152 . . . . 64.349999999999994 107.89 171.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' ILE . 59.8 tp60 -86.47 110.15 19.55 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.54 -0.754 . . . . 35.119999999999997 109.007 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -94.17 109.36 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 124.389 1.076 . . . . 63.310000000000002 108.337 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 58' ' ' THR . 34.8 tt0 -119.53 104.22 10.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.182 0.593 . . . . 74.310000000000002 109.62 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 27' ' ' TYR . 11.4 m120 -107.41 113.39 26.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.23 1.012 . . . . 70.040000000000006 108.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -115.69 124.84 51.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.631 0.773 . . . . 74.439999999999998 110.778 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 107.614 -1.254 . . . . 64.109999999999999 107.614 173.47 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 16' ' ' ASN . 91.2 m-85 . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.198 0.073 . . . . 62.520000000000003 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -138.38 127.05 23.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.377 -0.601 . . . . 65.230000000000004 109.377 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -134.5 155.43 50.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.929 0.891 . . . . 72.340000000000003 109.425 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m -129.17 105.97 8.52 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.823 -0.806 . . . . 72.310000000000002 108.823 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.9 m -117.57 135.51 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.853 0.861 . . . . 73.310000000000002 108.754 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -83.76 -25.23 30.67 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 122.069 -0.394 . . . . 70.319999999999993 110.163 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 35' ' ' SER . 14.4 m -118.06 147.42 43.27 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.531 0.732 . . . . 50.140000000000001 110.674 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.63 -31.97 73.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.282 1.033 . . . . 74.540000000000006 110.942 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 33' ' ' THR . 35.3 m -55.4 -45.87 76.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.639 1.176 . . . . 54.340000000000003 112.136 177.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.46 -43.86 96.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.976 0.911 . . . . 64.329999999999998 110.303 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.11 -35.42 80.69 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.112 -0.949 . . . . 70.319999999999993 112.18 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -62.6 -27.36 69.14 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.664 0.386 . . . . 74.25 111.369 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -54.16 7.06 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.22 -0.659 . . . . 74.319999999999993 109.22 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.63 -59.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.173 0 C-N-CA 124.541 1.136 . . . . 72.120000000000005 111.907 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.45 -35.46 80.99 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.386 0.884 . . . . 73.439999999999998 113.386 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -72.53 -35.11 68.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.165 0.186 . . . . 75.219999999999999 110.879 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.74 -31.19 26.13 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.294 -0.261 . . . . 75.319999999999993 110.294 175.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 47' ' ' TYR . 40.0 tp -66.97 -27.63 67.61 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.569 1.148 . . . . 72.340000000000003 110.888 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HB2' HG13 ' A' ' 78' ' ' VAL . 32.4 ttpt -46.48 -46.6 19.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.211 1.405 . . . . 62.329999999999998 111.121 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -76.33 -31.54 58.2 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.735 -1.12 . . . . 65.310000000000002 111.445 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.422 ' HB2' HD12 ' A' ' 44' ' ' LEU . 15.7 m-85 -65.85 -42.74 90.08 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.359 0.663 . . . . 65.129999999999995 111.261 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.5 -33.14 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.839 0.856 . . . . 63.32 109.733 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -67.76 -34.44 76.81 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.775 0.83 . . . . 64.329999999999998 110.695 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm . . . . . 0 N--CA 1.473 0.691 0 CA-C-N 115.191 -0.913 . . . . 71.219999999999999 110.359 179.506 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.531 HH12 ' HB2' ' A' ' 57' ' ' ARG . 1.9 tmm_? . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 107.541 -1.281 . . . . 71.510000000000005 107.541 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -140.77 131.72 26.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.617 0.767 . . . . 62.009999999999998 111.236 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.531 ' HB2' HH12 ' A' ' 55' ' ' ARG . 70.3 ttp85 -113.98 151.13 32.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.555 1.142 . . . . 65.299999999999997 109.587 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 18.5 m -140.79 109.2 5.86 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.871 0.468 . . . . 74.430000000000007 110.625 171.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 m -97.92 121.2 39.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.428 0.691 . . . . 74.540000000000006 109.228 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.497 HG21 ' CD2' ' A' ' 71' ' ' PHE . 53.8 mt -122.99 128.42 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.902 0.881 . . . . 60.229999999999997 110.168 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.469 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 27.7 m -69.62 122.89 20.0 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.314 0.384 . . . . 72.140000000000001 110.591 175.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.54 138.61 52.41 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.177 0.991 . . . . 72.219999999999999 108.35 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 -24.81 22.09 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.852 -0.425 . . . . 75.0 109.852 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.0 p -135.17 162.73 31.69 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.411 1.084 . . . . 74.140000000000001 110.002 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -72.19 -27.29 62.47 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.502 0.556 . . . . 64.430000000000007 112.502 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -67.05 -29.52 69.34 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.687 0.221 . . . . 64.230000000000004 110.677 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 65.7 mt-10 -73.47 -48.24 35.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.601 -0.518 . . . . 72.349999999999994 109.601 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.73 62.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.2 0.6 . . . . 73.420000000000002 112.23 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.25 -27.29 47.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.88 0.472 . . . . 74.109999999999999 111.709 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -77.06 -42.54 37.96 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 119.117 -0.468 . . . . 61.439999999999998 110.287 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD2' HG21 ' A' ' 60' ' ' ILE . 37.2 m-85 -66.16 -29.6 69.92 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.89 0.476 . . . . 75.129999999999995 110.229 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.85 -55.39 35.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.691 0.62 . . . . 64.5 109.764 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.96 77.62 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 124.102 0.876 . . . . 61.409999999999997 111.534 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 78' ' ' VAL . 95.3 mt -61.08 -51.78 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 124.045 0.938 . . . . 63.420000000000002 110.244 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.439 HD13 ' HB ' ' A' ' 98' ' ' VAL . 82.9 mt -63.31 -36.33 83.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.256 1.023 . . . . 73.109999999999999 113.011 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -44.02 92.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 109.034 -0.728 . . . . 70.439999999999998 109.034 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -69.2 -39.46 78.62 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.69 0.796 . . . . 72.430000000000007 111.868 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 45' ' ' LYS . 69.2 t -60.73 -50.55 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.776 0.83 . . . . 75.040000000000006 110.499 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -85.52 -16.55 39.12 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.523 -0.762 . . . . 61.420000000000002 112.572 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.46 85.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.494 0.317 . . . . 74.239999999999995 110.451 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.67 -21.2 65.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.989 -0.55 . . . . 74.310000000000002 111.258 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.36 -27.25 27.83 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.208 0.603 . . . . 60.109999999999999 110.311 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.03 0 CA-C-O 119.83 -0.428 . . . . 62.420000000000002 112.376 177.072 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.225 -0.657 . . . . 72.239999999999995 109.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -88.47 150.09 23.31 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.088 0.955 . . . . 74.319999999999993 109.745 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.56 146.21 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.475 0.71 . . . . 73.109999999999999 110.224 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 m -142.89 108.01 4.96 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.929 0.891 . . . . 75.239999999999995 108.971 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -88.52 100.13 12.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 108.231 -1.026 . . . . 74.019999999999996 108.231 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -138.74 128.89 25.51 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.258 1.023 . . . . 73.510000000000005 110.049 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 37.94 95.74 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 123.919 0.762 . . . . 74.420000000000002 113.322 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 60.3 19.54 9.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.788 1.235 . . . . 73.540000000000006 111.727 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 m -119.56 129.89 54.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.941 0.896 . . . . 74.25 109.028 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 71' ' ' PHE . 2.6 p -92.25 108.37 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 121.666 0.746 . . . . 53.149999999999999 109.469 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.8 m -102.41 100.45 10.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 71.129999999999995 108.86 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.439 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.8 t -93.45 125.01 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.756 0.822 . . . . 65.409999999999997 109.071 176.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 123.4 0.68 . . . . 72.25 109.631 -176.783 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.042 0.448 . . . . 74.129999999999995 111.076 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.526 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 18.2 mt -72.16 104.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 114.65 -1.159 . . . . 73.099999999999994 110.612 -170.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -87.24 116.28 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.948 -0.76 . . . . 74.519999999999996 108.948 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -107.79 121.96 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 63.310000000000002 108.275 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG2' HG23 ' A' ' 28' ' ' THR . 42.3 mt-30 -131.39 115.49 16.3 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.433 -0.58 . . . . 73.430000000000007 109.433 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 24.5 t-20 -104.51 112.13 25.07 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.775 -0.824 . . . . 75.120000000000005 108.775 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -118.14 110.69 17.9 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.878 -1.527 . . . . 71.219999999999999 106.878 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.658 HD21 HG12 ' A' ' 48' ' ' ILE . 79.2 m-20 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.198 -0.667 . . . . 51.219999999999999 109.198 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 39.0 m-85 . . . . . 0 CA--C 1.553 1.066 0 CA-C-O 121.275 0.559 . . . . 63.420000000000002 111.63 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 15' ' ' GLN . 89.3 m -107.31 124.78 50.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.023 0.929 . . . . 70.109999999999999 109.474 176.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -139.87 147.36 40.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.656 1.182 . . . . 73.120000000000005 108.274 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -128.37 108.12 10.31 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.586 0.63 . . . . 64.209999999999994 110.117 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 37' ' ' LEU . 24.9 m -113.24 148.03 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.225 1.01 . . . . 71.340000000000003 109.393 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -89.44 -22.76 22.35 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 118.014 0.37 . . . . 73.299999999999997 110.675 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -119.62 150.19 40.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.189 0.596 . . . . 51.32 110.982 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 1.3 mp0 -71.01 -32.58 69.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.989 1.316 . . . . 71.310000000000002 111.082 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.1 t -57.43 -44.97 85.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.082 0.953 . . . . 71.450000000000003 110.833 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -65.82 -35.38 80.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.056 0.942 . . . . 72.25 110.838 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.9 tt -68.29 -28.75 67.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.195 -0.911 . . . . 74.120000000000005 111.797 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.82 -28.73 69.76 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.982 0.513 . . . . 71.329999999999998 110.744 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -36.42 56.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.798 0.839 . . . . 72.099999999999994 110.134 174.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -58.82 -47.65 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.728 0.811 . . . . 63.340000000000003 110.537 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.485 HD13 HD23 ' A' ' 44' ' ' LEU . 4.2 mm? -73.51 -26.52 60.92 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.386 0.674 . . . . 53.219999999999999 112.012 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.89 -48.15 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.254 0.622 . . . . 74.329999999999998 110.183 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -33.22 59.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.155 0.582 . . . . 75.099999999999994 110.925 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.485 HD23 HD13 ' A' ' 41' ' ' LEU . 38.2 tp -64.25 -35.36 80.58 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.891 0.877 . . . . 71.5 110.995 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.6 -40.91 63.18 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.621 1.169 . . . . 70.230000000000004 111.39 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.56 -47.8 58.49 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.151 -0.931 . . . . 71.439999999999998 110.637 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.73 -30.84 70.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.704 0.802 . . . . 75.120000000000005 112.621 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.658 HG12 HD21 ' A' ' 18' ' ' ASN . 78.4 mt -81.89 -51.09 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.321 0.648 . . . . 75.420000000000002 110.346 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.4 tttt -66.17 -46.37 77.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.368 0.667 . . . . 70.109999999999999 112.402 -172.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt . . . . . 0 N--CA 1.474 0.755 0 C-N-CA 124.479 1.112 . . . . 64.400000000000006 111.253 -175.443 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.028 -0.36 . . . . 64.25 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 114.12 26.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.019 0.928 . . . . 73.120000000000005 109.241 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' HG23 ' A' ' 97' ' ' THR . 36.5 ttt180 -104.51 112.28 25.28 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.263 -0.643 . . . . 64.010000000000005 109.263 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 m -113.54 118.78 35.39 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.766 -0.828 . . . . 74.099999999999994 108.766 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.7 t -103.68 118.88 37.74 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.593 -1.262 . . . . 74.319999999999993 107.593 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.08 126.48 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.204 1.002 . . . . 74.129999999999995 109.708 -171.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.526 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 87.8 m -60.0 114.57 2.9 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.363 0.602 . . . . 53.43 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.94 108.78 17.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.013 1.325 . . . . 74.109999999999999 108.54 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -32.71 71.7 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.437 0.695 . . . . 74.510000000000005 110.762 -176.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.0 p -139.39 175.37 9.62 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.109 1.364 . . . . 75.129999999999995 108.4 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -75.46 -17.29 60.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 110.066 -0.346 . . . . 72.150000000000006 110.066 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -71.04 -34.31 71.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.564 0.746 . . . . 63.340000000000003 109.495 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mm-40 -67.63 -50.77 56.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 108.871 -0.789 . . . . 74.120000000000005 108.871 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.61 44.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.076 0.951 . . . . 55.340000000000003 112.471 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.89 -53.48 55.14 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.049 1.34 . . . . 61.149999999999999 111.303 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HE3' ' HG2' ' A' ' 34' ' ' GLU . 61.8 pttt -73.02 -36.73 67.03 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 119.267 -0.397 . . . . 74.0 111.228 -173.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.571 ' HA ' HD12 ' A' ' 74' ' ' ILE . 99.2 m-85 -71.14 -20.85 62.26 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.867 0.303 . . . . 74.329999999999998 111.349 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.53 76.54 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 109.148 -0.686 . . . . 63.130000000000003 109.148 170.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.46 70.66 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 118.146 0.43 . . . . 71.329999999999998 111.877 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 71' ' ' PHE . 97.8 mt -70.23 -41.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.497 1.119 . . . . 71.010000000000005 110.876 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD13 ' HB ' ' A' ' 98' ' ' VAL . 21.4 mt -79.02 -46.58 17.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.567 0.747 . . . . 74.120000000000005 112.144 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.52 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -52.81 -34.67 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.561 1.145 . . . . 74.200000000000003 110.4 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -35.36 76.91 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.933 0.893 . . . . 61.240000000000002 111.23 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 HD12 ' A' ' 41' ' ' LEU . 63.8 t -84.2 -43.15 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.037 0.935 . . . . 72.219999999999999 110.654 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -72.86 -21.92 60.86 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.124 0.569 . . . . 73.319999999999993 112.09 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.54 60.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.338 0.655 . . . . 34.409999999999997 111.119 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -82.02 -50.66 8.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.997 -0.547 . . . . 75.239999999999995 110.788 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 49' ' ' LYS . 30.3 mt -84.8 -28.23 26.29 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.031 -0.532 . . . . 74.540000000000006 111.686 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.698 0 CA-C-N 115.858 -0.61 . . . . 74.450000000000003 112.267 -176.87 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.52 HG13 HG13 ' A' ' 76' ' ' ILE . 49.9 mm . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.83 -0.433 . . . . 74.209999999999994 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -116.35 107.91 15.41 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.213 -1.032 . . . . 73.219999999999999 108.213 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 98' ' ' VAL . 7.3 p -109.99 135.81 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.371 0.668 . . . . 33.149999999999999 110.238 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -146.25 136.93 24.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.991 1.317 . . . . 70.219999999999999 108.874 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -101.29 119.98 39.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.751 -0.833 . . . . 74.299999999999997 108.751 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -73.97 -30.54 62.57 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.273 0.629 . . . . 70.120000000000005 110.201 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.08 -87.06 0.2 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.56 -1.016 . . . . 73.099999999999994 110.56 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.11 11.14 12.45 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.599 0.76 . . . . 73.549999999999997 111.258 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.8 m -145.54 150.89 37.24 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.694 1.197 . . . . 70.329999999999998 108.62 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.83 117.21 52.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.281 0.632 . . . . 65.109999999999999 110.276 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.464 HG23 ' HG3' ' A' ' 57' ' ' ARG . 18.5 m -90.48 116.81 28.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.656 0.782 . . . . 42.25 109.395 170.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG22 HG23 ' A' ' 89' ' ' VAL . 40.1 t -113.93 145.52 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 107.286 -1.376 . . . . 74.239999999999995 107.286 166.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.21 1.004 . . . . 65.019999999999996 110.102 -175.556 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' THR . 4.5 p30 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 121.489 0.661 . . . . 71.150000000000006 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.43 106.69 19.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 107.575 -1.268 . . . . 72.239999999999995 107.575 170.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -81.15 104.54 11.7 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.423 -0.584 . . . . 74.219999999999999 109.423 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' THR . 48.4 t -93.82 124.84 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.898 0.879 . . . . 64.430000000000007 108.715 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -133.62 151.38 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.436 0.694 . . . . 73.5 110.138 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -129.06 126.21 38.94 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.97 -1.122 . . . . 62.539999999999999 107.97 163.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -102.53 111.13 23.3 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.548 -1.279 . . . . 73.310000000000002 107.548 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.351 0.596 . . . . 74.25 110.067 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 113.203 0.816 . . . . 71.409999999999997 113.203 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 62.3 m -92.26 118.0 30.45 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.439 0.695 . . . . 63.450000000000003 109.483 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.9 123.17 39.84 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.524 -0.917 . . . . 74.129999999999995 108.524 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -97.19 104.11 16.1 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.539 -1.282 . . . . 73.239999999999995 107.539 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.46 123.87 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 109.11 -0.7 . . . . 73.230000000000004 109.11 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 12.7 t -86.55 -26.99 24.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 122.003 -0.436 . . . . 55.450000000000003 110.333 -173.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.443 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.8 m -106.52 143.62 34.38 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.229 0.612 . . . . 61.219999999999999 109.777 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.51 -30.44 70.12 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.303 0.641 . . . . 65.420000000000002 110.916 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 33' ' ' THR . 21.6 m -56.28 -38.64 71.47 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.039 0.935 . . . . 73.450000000000003 111.457 176.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 39.3 mt-10 -66.64 -42.77 86.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 115.441 -0.799 . . . . 55.240000000000002 110.308 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.404 HD11 HD13 ' A' ' 60' ' ' ILE . 9.2 tt -62.22 -30.29 70.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.138 -0.937 . . . . 75.109999999999999 111.394 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.58 -35.51 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.81 0.444 . . . . 73.120000000000005 111.664 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -33.91 26.97 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 118.919 -0.562 . . . . 64.219999999999999 111.689 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 37' ' ' LEU . 4.0 m -63.8 -26.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.184 0.447 . . . . 64.200000000000003 110.562 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD11 HD23 ' A' ' 75' ' ' LEU . 3.6 mm? -70.45 -38.92 74.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.868 0.467 . . . . 41.409999999999997 111.865 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.452 0.701 . . . . 72.420000000000002 110.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.1 -46.7 61.26 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.53 -0.759 . . . . 71.420000000000002 110.884 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HG ' HG13 ' A' ' 48' ' ' ILE . 28.9 tp -71.04 -22.0 62.19 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.57 0.748 . . . . 75.109999999999999 111.133 -174.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -50.01 -44.74 51.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.367 1.067 . . . . 63.409999999999997 111.298 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.87 -53.65 55.45 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.857 -1.065 . . . . 55.450000000000003 111.034 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.61 -43.11 90.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.854 0.862 . . . . 71.030000000000001 111.921 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.424 HG13 ' HG ' ' A' ' 44' ' ' LEU . 63.0 mt -60.76 -43.96 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.197 0.999 . . . . 72.209999999999994 109.826 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.21 -33.94 74.1 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.223 0.609 . . . . 75.120000000000005 110.897 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 124.194 0.998 . . . . 65.450000000000003 112.0 -173.114 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 110.043 -0.355 . . . . 71.340000000000003 110.043 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 p -140.55 117.52 11.13 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.005 0.922 . . . . 72.25 109.278 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 97' ' ' THR . 37.2 ttt-85 -112.16 113.67 26.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.705 0.802 . . . . 73.019999999999996 109.564 -174.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.2 m -97.84 119.69 36.9 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.699 0.4 . . . . 55.049999999999997 110.574 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -113.96 120.41 40.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.041 0.936 . . . . 74.439999999999998 109.642 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.404 HD13 HD11 ' A' ' 37' ' ' LEU . 48.9 mt -111.43 127.02 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.214 1.006 . . . . 54.0 108.45 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.3 m -61.59 103.2 0.3 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.262 0.554 . . . . 74.030000000000001 111.116 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 96' ' ' VAL . . . -90.2 131.58 35.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.894 0.878 . . . . 73.5 109.693 176.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -88.25 -68.53 0.76 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.152 0.581 . . . . 73.319999999999993 109.657 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 67' ' ' GLU . 82.6 p -96.07 177.12 5.84 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 124.12 0.968 . . . . 74.219999999999999 110.269 175.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HG3' ' HD2' ' A' ' 66' ' ' LYS . 18.3 ptpt -65.8 -29.4 69.88 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.912 -0.403 . . . . 64.420000000000002 109.912 171.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HD2' ' HG3' ' A' ' 65' ' ' LYS . 4.7 mptp? -66.07 -29.86 70.28 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 123.606 0.762 . . . . 73.109999999999999 110.955 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 17.3 mm-40 -72.39 -47.42 49.48 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.426 -0.583 . . . . 74.109999999999999 109.426 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.427 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . . . -59.13 -34.65 72.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.159 0.983 . . . . 64.219999999999999 112.801 -175.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.43 -37.99 20.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.637 0.375 . . . . 71.400000000000006 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 60.5 pttt -81.8 -40.32 22.73 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 119.034 -0.507 . . . . 73.340000000000003 110.858 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 74' ' ' ILE . 88.9 m-85 -71.91 -23.26 61.45 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 118.119 0.418 . . . . 73.439999999999998 110.687 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.9 53.16 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.875 -0.787 . . . . 61.340000000000003 108.875 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' HD2' ' A' ' 77' ' ' LYS . . . -55.44 -46.2 76.76 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.998 0.812 . . . . 73.239999999999995 111.367 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 71' ' ' PHE . 96.6 mt -55.6 -36.02 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.489 1.116 . . . . 74.530000000000001 111.171 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 41' ' ' LEU . 87.7 mt -77.87 -46.64 20.82 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.018 0.527 . . . . 73.510000000000005 111.432 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.488 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.8 mp -59.16 -41.19 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.271 0.628 . . . . 62.420000000000002 111.293 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 73' ' ' ALA . 1.2 mpmm? -55.53 -38.07 68.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.045 0.938 . . . . 63.5 111.363 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 41' ' ' LEU . 90.0 t -79.85 -38.77 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.92 0.888 . . . . 71.109999999999999 111.283 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -79.63 -21.51 44.8 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.891 0.476 . . . . 73.510000000000005 111.999 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.19 62.62 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.803 0.335 . . . . 71.140000000000001 110.245 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.61 -29.45 27.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.368 0.667 . . . . 74.019999999999996 110.721 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.09 -12.74 43.28 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.684 0.794 . . . . 72.040000000000006 111.752 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.791 0 N-CA-C 110.457 -1.057 . . . . 41.340000000000003 110.457 -179.115 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.488 ' HB ' HG13 ' A' ' 76' ' ' ILE . 33.1 mm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.762 -0.829 . . . . 72.540000000000006 108.762 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.0 134.52 34.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.643 0.377 . . . . 72.010000000000005 111.57 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.39 141.26 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.39 1.076 . . . . 60.549999999999997 109.258 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.9 m -138.81 109.16 6.48 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.263 1.025 . . . . 73.329999999999998 108.757 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -86.86 99.59 11.94 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.858 -0.793 . . . . 70.010000000000005 108.858 175.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.29 130.64 56.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.094 -0.957 . . . . 72.25 109.15 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.34 31.67 81.54 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-O 119.332 -0.705 . . . . 75.450000000000003 113.005 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 65.32 12.42 8.06 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 125.229 1.412 . . . . 63.030000000000001 112.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 m -103.98 144.73 31.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.425 1.09 . . . . 62.409999999999997 108.715 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 62' ' ' ALA . 3.2 p -91.08 109.34 20.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 121.843 0.83 . . . . 64.340000000000003 108.971 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.408 HG21 ' NH1' ' A' ' 57' ' ' ARG . 7.4 m -121.23 123.77 43.04 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 114.993 -1.003 . . . . 54.439999999999998 109.419 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 76' ' ' ILE . 58.2 t -122.47 143.36 35.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.218 -0.66 . . . . 71.239999999999995 109.218 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 123.906 0.883 . . . . 72.439999999999998 109.112 -179.171 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.246 0.546 . . . . 75.129999999999995 110.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 58.1 mt -108.09 118.95 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.063 0.945 . . . . 74.519999999999996 109.445 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -80.77 146.45 30.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.809 0.844 . . . . 72.140000000000001 110.67 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 46.2 t -128.4 107.21 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 106.725 -1.583 . . . . 72.200000000000003 106.725 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 58' ' ' THR . 86.5 mt-30 -113.4 104.07 11.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.801 -0.814 . . . . 54.539999999999999 108.801 -176.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.681 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 27.4 t-20 -104.69 117.46 34.14 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.261 -0.644 . . . . 74.5 109.261 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -120.17 109.56 15.57 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.427 -0.953 . . . . 54.240000000000002 108.427 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 108.406 -0.961 . . . . 74.120000000000005 108.406 173.21 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.681 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 55.4 m-85 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 109.173 -0.677 . . . . 75.340000000000003 109.173 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.4 m -139.05 125.54 20.49 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.57 0.748 . . . . 74.409999999999997 109.438 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 67.4 m-85 -123.42 148.66 45.91 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.284 1.033 . . . . 71.420000000000002 108.259 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.2 m -129.95 108.0 9.78 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.328 -0.989 . . . . 51.539999999999999 108.328 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.604 HG21 ' HB2' ' A' ' 37' ' ' LEU . 33.5 m -104.75 160.74 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.516 0.727 . . . . 64.420000000000002 110.3 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 t -112.95 -13.89 13.08 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.049 0.54 . . . . 61.210000000000001 110.089 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.504 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 37.6 m -125.65 144.55 50.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.301 1.041 . . . . 70.239999999999995 109.999 -176.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.32 -38.24 89.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.293 1.037 . . . . 70.209999999999994 110.837 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.423 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 23.9 m -58.53 -44.02 89.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.21 -0.904 . . . . 54.140000000000001 111.643 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 52.6 mt-10 -60.53 -37.28 80.69 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.005 0.816 . . . . 44.109999999999999 110.92 178.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.604 ' HB2' HG21 ' A' ' 31' ' ' VAL . 7.9 tt -68.69 -35.58 77.38 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.818 -0.628 . . . . 74.200000000000003 110.865 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.99 -35.56 75.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.952 0.501 . . . . 74.310000000000002 110.767 174.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -71.14 -49.78 40.43 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.73 -0.668 . . . . 72.310000000000002 110.464 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.5 m -64.1 -27.48 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 123.004 0.19 . . . . 63.509999999999998 111.023 -176.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 78' ' ' VAL . 2.6 mm? -81.14 -36.21 30.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.946 0.898 . . . . 72.140000000000001 111.97 175.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.35 -43.73 88.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.378 0.671 . . . . 72.219999999999999 110.357 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.93 -35.91 28.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.184 -0.916 . . . . 63.219999999999999 111.205 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 30.5 tp -54.68 -36.62 64.83 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.997 0.919 . . . . 71.349999999999994 110.871 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -52.49 -43.66 65.17 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.566 1.546 . . . . 75.25 112.008 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 27.3 t70 -66.29 -41.62 89.54 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.197 0.999 . . . . 70.420000000000002 111.321 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -62.35 -49.1 76.91 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.748 0.655 . . . . 73.129999999999995 111.755 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.24 -37.11 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.882 0.873 . . . . 75.010000000000005 110.275 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 82' ' ' LEU . 32.9 ttpt -61.29 -43.8 98.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.33 1.052 . . . . 72.400000000000006 110.679 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 124.682 1.193 . . . . 63.439999999999998 110.407 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 108.92 -0.77 . . . . 64.420000000000002 108.92 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.5 p -131.61 121.76 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.452 -1.314 . . . . 65.030000000000001 107.452 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -137.65 140.36 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.14 0.576 . . . . 74.239999999999995 109.455 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 10.0 m -140.15 132.69 28.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.775 0.43 . . . . 60.229999999999997 110.388 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 m -113.59 120.64 41.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.088 0.955 . . . . 42.240000000000002 108.95 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.408 HD13 HD21 ' A' ' 37' ' ' LEU . 48.2 mt -115.93 134.25 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.761 0.825 . . . . 72.040000000000006 109.78 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 44.4 m -64.49 135.8 56.42 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.92 0.488 . . . . 63.340000000000003 111.266 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.15 136.22 34.89 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.766 1.226 . . . . 72.439999999999998 109.171 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -94.95 -60.5 1.67 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.295 0.638 . . . . 51.219999999999999 109.544 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.2 p -102.1 170.12 8.31 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.56 -0.533 . . . . 73.239999999999995 109.56 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -28.39 61.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.242 0.46 . . . . 64.219999999999999 112.242 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -70.24 -31.93 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 117.658 0.208 . . . . 64.420000000000002 110.793 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.1 mt-10 -68.0 -36.94 80.83 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.086 -0.506 . . . . 74.540000000000006 110.239 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.02 93.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.855 -0.611 . . . . 61.340000000000003 111.179 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.44 -37.05 63.38 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.949 0.499 . . . . 63.549999999999997 112.275 -176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.3 pttt -72.51 -39.1 67.87 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.781 0.264 . . . . 72.030000000000001 111.071 -178.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 37' ' ' LEU . 72.6 m-85 -76.74 -24.66 53.0 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.083 0.239 . . . . 61.039999999999999 111.485 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -58.99 -45.96 89.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.43 -0.581 . . . . 71.420000000000002 109.43 168.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.12 93.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.96 -1.018 . . . . 73.239999999999995 111.146 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.99 -28.1 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.794 0.837 . . . . 73.340000000000003 110.909 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.17 -48.9 12.43 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.326 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.413 HD11 HG21 ' A' ' 89' ' ' VAL . 46.6 mt -58.81 -35.61 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 C-N-CA 123.386 0.674 . . . . 73.439999999999998 111.311 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -25.11 67.01 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.61 0.764 . . . . 74.239999999999995 111.534 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 41' ' ' LEU . 14.1 t -84.63 -48.24 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.135 0.974 . . . . 72.129999999999995 110.846 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -65.44 -40.96 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.808 0.843 . . . . 62.329999999999998 112.156 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.93 73.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.864 0.727 . . . . 71.239999999999995 111.882 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.12 -47.07 81.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.372 0.669 . . . . 74.519999999999996 110.24 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 49' ' ' LYS . 70.9 mt -68.92 -27.36 65.69 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.003 -0.999 . . . . 71.349999999999994 111.374 -176.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.986 0 N-CA-C 111.01 -0.836 . . . . 72.439999999999998 111.01 179.251 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.014 -0.735 . . . . 72.219999999999999 109.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -87.26 130.07 34.73 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.969 0.507 . . . . 75.109999999999999 109.86 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 76' ' ' ILE . 61.1 t -117.87 120.01 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.534 1.134 . . . . 75.239999999999995 108.66 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m -119.05 108.6 14.92 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.908 0.883 . . . . 70.420000000000002 109.513 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -73.01 115.08 11.89 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.484 -0.932 . . . . 64.200000000000003 108.484 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -131.7 73.78 1.55 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.448 0.699 . . . . 73.099999999999994 110.386 -170.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.78 -105.22 1.1 Allowed Glycine 0 C--N 1.346 1.133 0 CA-C-N 114.855 -1.066 . . . . 75.25 113.65 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.99 6.6 47.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.782 0.833 . . . . 71.209999999999994 111.322 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 p -141.47 132.75 26.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.943 0.897 . . . . 74.230000000000004 111.206 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.2 p -94.21 112.87 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 N-CA-C 108.832 -0.803 . . . . 44.229999999999997 108.832 168.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.1 m -101.53 104.12 15.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.387 1.075 . . . . 55.219999999999999 110.38 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.15 128.85 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.738 0.815 . . . . 62.409999999999997 109.027 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.243 0.743 0 C-N-CA 123.867 0.867 . . . . 74.019999999999996 110.145 -175.782 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.242 0.703 0 N-CA-C 108.829 -0.804 . . . . 73.109999999999999 108.829 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 52.8 mt -83.14 102.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.031 -0.729 . . . . 75.420000000000002 109.031 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -85.67 120.98 27.7 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 109.014 -0.735 . . . . 75.340000000000003 109.014 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.0 t -111.03 123.65 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.475 -1.305 . . . . 71.140000000000001 107.475 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -134.54 114.49 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.415 -0.957 . . . . 63.350000000000001 108.415 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 23.8 t-20 -104.23 146.23 29.09 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.39 -0.596 . . . . 73.040000000000006 109.39 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -122.34 108.58 13.4 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 107.961 -1.126 . . . . 70.219999999999999 107.961 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 C--O 1.24 0.578 0 N-CA-C 108.315 -0.995 . . . . 73.25 108.315 178.017 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 87.2 m-85 . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.703 -0.11 . . . . 73.109999999999999 110.703 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 71.9 m -105.42 117.57 34.35 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.291 0.636 . . . . 74.319999999999993 110.6 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -128.51 157.78 40.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.49 0.716 . . . . 64.230000000000004 109.186 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.03 129.35 41.89 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.687 -0.857 . . . . 73.019999999999996 108.687 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.85 132.25 61.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.873 0.869 . . . . 74.340000000000003 108.885 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.047 0.539 . . . . 62.350000000000001 111.672 -176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.455 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 30.2 m -141.18 151.11 43.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.605 0.762 . . . . 73.25 110.878 -178.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -66.17 -39.3 89.65 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.427 1.491 . . . . 75.340000000000003 113.981 -171.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 t -70.55 -31.8 68.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.268 0.227 . . . . 25.420000000000002 111.257 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 6.4 mm-40 -64.69 -30.16 71.17 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.554 0.692 . . . . 72.099999999999994 110.177 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 12' ' ' ILE . 25.0 tp -66.4 -33.69 76.28 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.197 -1.365 . . . . 75.099999999999994 112.063 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -61.34 -38.51 87.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.309 0.643 . . . . 75.219999999999999 111.119 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -68.89 -53.5 20.82 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.599 0.759 . . . . 74.329999999999998 110.641 -179.481 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.12 -28.42 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.718 -0.674 . . . . 75.340000000000003 112.089 -167.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HG ' HG22 ' A' ' 74' ' ' ILE . 3.6 mm? -71.76 -39.91 69.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.711 0.404 . . . . 73.540000000000006 111.593 174.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.39 -30.68 68.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.231 0.612 . . . . 73.400000000000006 111.294 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.35 -37.28 18.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.84 0.456 . . . . 74.299999999999997 110.893 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 27' ' ' TYR . 45.2 tp -62.72 -34.86 78.04 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.22 0.608 . . . . 73.5 110.381 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 34.0 ttpt -45.61 -46.82 14.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.717 1.607 . . . . 75.129999999999995 112.427 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.29 -35.58 73.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 61.420000000000002 111.521 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.96 -23.57 60.68 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.311 0.644 . . . . 72.239999999999995 111.803 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -81.89 -48.08 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.225 1.01 . . . . 74.439999999999998 109.747 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -68.42 -22.18 64.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.905 0.882 . . . . 73.530000000000001 111.814 -171.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 123.828 0.851 . . . . 74.140000000000001 110.831 175.089 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.239 0.522 0 CA-C-O 121.64 0.733 . . . . 74.319999999999993 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -136.12 127.11 27.76 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 106.424 -1.695 . . . . 45.32 106.424 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -124.59 108.17 11.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.03 0.832 . . . . 75.420000000000002 109.073 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -97.86 140.47 32.18 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.765 0.426 . . . . 73.450000000000003 110.272 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -121.41 118.27 29.01 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.246 -1.39 . . . . 43.420000000000002 107.246 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.4 mt -120.15 126.66 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.986 0.914 . . . . 73.409999999999997 108.831 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.8 m -61.07 128.31 35.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.503 0.721 . . . . 74.319999999999993 110.992 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.33 114.64 16.46 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.239 1.016 . . . . 60.210000000000001 108.359 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 9.4 mmt180 -76.59 -22.19 54.58 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.038 0.446 . . . . 64.150000000000006 111.74 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 72.1 p -135.38 170.4 16.0 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.543 1.137 . . . . 62.25 108.704 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.56 -25.31 65.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.505 -0.316 . . . . 72.310000000000002 110.48 170.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -66.4 -34.2 77.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.332 0.653 . . . . 73.140000000000001 111.043 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.659 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 33.5 mm-40 -66.85 -43.58 83.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.541 -0.54 . . . . 71.540000000000006 109.541 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -63.74 -30.21 71.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.18 0.992 . . . . 71.120000000000005 112.375 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.14 -58.64 4.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.535 0.734 . . . . 74.25 111.933 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 41.8 pttt -68.11 -28.88 67.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.676 -0.693 . . . . 65.439999999999998 111.714 -174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.3 m-30 -88.58 -17.83 29.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.428 0.691 . . . . 73.409999999999997 112.161 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB2' ' HE1' ' A' ' 91' ' ' TRP . . . -59.98 -49.73 76.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.361 -0.977 . . . . 73.420000000000002 108.361 166.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.57 68.31 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.894 0.746 . . . . 62.210000000000001 112.404 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.472 HG22 ' HG ' ' A' ' 41' ' ' LEU . 57.7 mt -58.99 -45.33 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.85 0.86 . . . . 73.120000000000005 110.305 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.51 -37.67 68.31 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.082 -0.963 . . . . 71.099999999999994 112.462 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -59.38 -38.01 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 123.399 0.68 . . . . 50.43 110.084 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.82 -55.6 28.29 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.259 0.624 . . . . 55.229999999999997 111.136 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 69.1 t -53.02 -52.59 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.608 1.163 . . . . 75.510000000000005 111.752 -175.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -69.38 -35.31 75.68 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.398 -0.819 . . . . 72.019999999999996 111.936 -174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.99 73.45 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.777 0.431 . . . . 50.520000000000003 111.105 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 49.6 mt-10 -83.54 -16.58 44.94 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.602 0.761 . . . . 64.400000000000006 111.485 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 91.4 mt -77.47 -23.25 50.41 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.448 -0.575 . . . . 71.340000000000003 109.448 167.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.207 0 CA-C-N 115.351 -0.84 . . . . 34.329999999999998 112.321 178.418 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 76' ' ' ILE . 48.9 mm . . . . . 0 C--O 1.237 0.428 0 N-CA-C 109.955 -0.387 . . . . 75.129999999999995 109.955 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.31 107.74 18.98 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.291 -1.374 . . . . 74.530000000000001 107.291 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.12 139.99 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.576 0.75 . . . . 61.229999999999997 110.05 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.3 m -129.82 119.64 23.7 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.537 1.135 . . . . 75.340000000000003 108.635 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.515 ' HE1' ' HB2' ' A' ' 72' ' ' ALA . 8.6 m-90 -97.33 98.52 10.04 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.044 -0.724 . . . . 73.219999999999999 109.044 173.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -80.64 -35.01 34.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.503 0.721 . . . . 52.399999999999999 109.928 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 -46.27 1.19 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.414 -0.812 . . . . 64.439999999999998 111.424 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.8 -24.76 35.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.359 0.664 . . . . 63.200000000000003 109.457 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 m -144.21 143.06 30.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.44 0.696 . . . . 64.439999999999998 109.744 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.18 138.01 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 108.38 -0.97 . . . . 72.25 108.38 164.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.3 m -131.98 135.48 46.59 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.538 0.735 . . . . 51.450000000000003 109.212 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.53 140.9 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.956 -1.127 . . . . 72.200000000000003 107.956 172.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 71.430000000000007 109.775 -177.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 . . . . . 0 C--O 1.241 0.643 0 CA-C-O 121.234 0.54 . . . . 63.140000000000001 111.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 41.6 mt -78.21 105.19 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.934 -1.03 . . . . 72.030000000000001 109.639 -176.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -86.77 113.98 23.06 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.872 -0.788 . . . . 74.120000000000005 108.872 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.7 t -100.21 123.39 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.471 1.109 . . . . 61.450000000000003 108.377 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -128.86 151.81 49.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.369 1.068 . . . . 63.140000000000001 108.878 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -136.57 116.88 13.59 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.441 -0.948 . . . . 72.200000000000003 108.441 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.51 110.45 22.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.094 -1.076 . . . . 75.430000000000007 108.094 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m120 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 107.131 -1.433 . . . . 74.310000000000002 107.131 177.529 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 108.192 -1.04 . . . . 71.299999999999997 108.192 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -135.55 128.0 30.48 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.01 0.368 . . . . 72.319999999999993 110.651 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.65 133.41 43.55 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.118 1.367 . . . . 71.230000000000004 108.045 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -114.66 109.3 18.01 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.247 -0.649 . . . . 71.140000000000001 109.247 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.5 m -114.84 155.6 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.713 0.805 . . . . 63.109999999999999 109.746 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 t -111.29 -4.09 15.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.735 0.414 . . . . 70.129999999999995 110.665 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.513 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 3.4 m -133.26 143.8 49.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.622 0.769 . . . . 64.400000000000006 109.694 -177.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 37.9 mt-10 -68.11 -33.26 74.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 72.430000000000007 110.98 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 m -58.21 -46.95 84.94 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.165 -0.925 . . . . 72.219999999999999 110.986 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 42.6 mt-10 -60.44 -46.05 91.43 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.781 0.833 . . . . 71.510000000000005 110.002 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.6 tt -55.62 -35.73 66.2 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.285 -1.325 . . . . 74.120000000000005 112.319 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.24 -46.79 82.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.248 0.619 . . . . 74.5 111.423 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -31.2 62.56 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.927 0.491 . . . . 71.129999999999995 111.081 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.41 -40.71 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.828 0.851 . . . . 73.420000000000002 111.01 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.639 HD12 HG21 ' A' ' 78' ' ' VAL . 4.2 mm? -71.45 -29.24 64.63 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.042 0.537 . . . . 72.230000000000004 112.301 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -75.04 -43.97 50.43 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.188 0.595 . . . . 73.340000000000003 111.237 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.57 -39.58 77.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.498 0.319 . . . . 74.319999999999993 110.493 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.35 -43.82 96.61 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.215 1.006 . . . . 74.030000000000001 110.122 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -47.52 -45.67 26.82 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.495 1.518 . . . . 71.200000000000003 112.039 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.9 -1.045 . . . . 72.150000000000006 111.025 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.6 -36.13 68.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.592 0.757 . . . . 74.299999999999997 112.206 -173.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.5 -44.93 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.907 0.883 . . . . 64.530000000000001 109.591 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HB2' HD22 ' A' ' 82' ' ' LEU . 33.2 ttpt -69.24 -44.78 71.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.268 1.427 . . . . 74.439999999999998 111.968 -178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 124.758 1.223 . . . . 75.340000000000003 111.484 -169.553 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 N-CA-C 109.209 -0.663 . . . . 73.150000000000006 109.209 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -137.21 129.1 29.03 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.451 -0.944 . . . . 74.209999999999994 108.451 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -117.61 127.19 53.71 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.369 -0.604 . . . . 61.530000000000001 109.369 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.552 ' HB ' HD22 ' A' ' 75' ' ' LEU . 13.0 m -97.1 144.04 27.34 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.944 -1.132 . . . . 75.310000000000002 107.944 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 13.0 t -137.86 120.94 16.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.51 0.724 . . . . 52.109999999999999 109.463 -170.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 37' ' ' LEU . 55.9 mt -121.2 134.63 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.015 0.926 . . . . 65.310000000000002 109.639 -173.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 62.1 m -68.21 138.7 55.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.445 0.698 . . . . 64.439999999999998 110.968 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.44 129.08 19.21 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.018 0.927 . . . . 74.129999999999995 109.026 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -93.56 -43.44 8.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.739 0.416 . . . . 71.430000000000007 110.102 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -105.03 166.37 10.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.589 0.756 . . . . 75.219999999999999 109.761 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -35.62 79.65 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 123.968 0.792 . . . . 74.219999999999999 110.796 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.57 -36.74 83.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.369 0.668 . . . . 74.230000000000004 110.761 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 50.7 mt-10 -68.69 -39.5 80.52 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 115.589 -0.732 . . . . 73.540000000000006 110.376 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.4 89.8 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.719 0.407 . . . . 44.200000000000003 111.215 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.14 -36.61 58.7 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 54.340000000000003 111.673 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 61.8 pttt -82.07 -41.49 20.52 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 119.198 -0.429 . . . . 74.420000000000002 111.997 -174.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' HA ' HD12 ' A' ' 74' ' ' ILE . 81.2 m-85 -70.43 -26.06 63.49 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.232 0.469 . . . . 71.299999999999997 110.865 177.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.5 -50.13 74.05 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.787 0.679 . . . . 72.140000000000001 109.651 168.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -64.21 -36.75 85.08 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.511 0.725 . . . . 73.209999999999994 111.879 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 71' ' ' PHE . 93.5 mt -59.51 -41.06 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 124.645 1.178 . . . . 63.25 110.466 175.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 58' ' ' THR . 95.8 mt -67.9 -42.94 80.36 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.773 0.829 . . . . 73.099999999999994 112.371 173.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.454 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.6 mp -58.08 -36.38 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 123.03 0.532 . . . . 65.340000000000003 110.737 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.9 mtpt -62.58 -42.84 99.8 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.714 0.805 . . . . 73.120000000000005 111.748 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.639 HG21 HD12 ' A' ' 41' ' ' LEU . 31.2 t -61.66 -49.75 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.078 0.951 . . . . 75.409999999999997 111.198 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.426 ' HB3' HD12 ' A' ' 87' ' ' ILE . 89.9 m-85 -72.67 -22.4 60.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.775 0.43 . . . . 74.319999999999993 111.997 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.01 73.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.376 0.67 . . . . 63.350000000000001 110.714 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.97 -40.64 68.47 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.472 -0.785 . . . . 64.109999999999999 110.333 172.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 49' ' ' LYS . 85.1 mt -68.02 -24.37 65.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 74.219999999999999 112.213 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.858 0 O-C-N 123.395 0.434 . . . . 53.350000000000001 112.215 175.86 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 79' ' ' TYR . 20.8 mm . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 108.734 -0.839 . . . . 74.120000000000005 108.734 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 98' ' ' VAL . 39.4 t30 -93.37 141.46 28.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.873 0.869 . . . . 74.439999999999998 109.844 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.454 ' HB ' HD11 ' A' ' 76' ' ' ILE . 2.7 p -121.58 130.59 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.896 0.878 . . . . 72.420000000000002 108.872 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.7 m -129.46 104.75 7.66 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.203 -0.666 . . . . 62.229999999999997 109.203 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -78.2 109.59 12.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.852 -0.796 . . . . 71.409999999999997 108.852 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.17 -6.55 59.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.205 0.602 . . . . 64.040000000000006 110.72 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.13 -104.39 0.77 Allowed Glycine 0 C--N 1.349 1.292 0 N-CA-C 111.255 -0.738 . . . . 45.210000000000001 111.255 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.56 0.72 25.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.951 0.9 . . . . 72.140000000000001 112.144 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.9 m -141.99 130.18 22.16 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.014 -1.106 . . . . 74.140000000000001 108.014 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 59' ' ' SER . 17.6 m -92.78 144.33 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.596 0.758 . . . . 65.340000000000003 108.983 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.8 m -136.32 106.63 6.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.258 0.623 . . . . 73.409999999999997 109.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 88' ' ' ASN . 44.5 t -104.35 138.96 26.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 123.624 0.77 . . . . 60.240000000000002 110.628 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.265 1.426 . . . . 71.310000000000002 108.715 -174.495 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.028 0.442 . . . . 73.239999999999995 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 37' ' ' LEU . 54.5 mt -76.19 103.54 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.37 -0.832 . . . . 74.519999999999996 109.864 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.3 118.81 37.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.897 0.479 . . . . 74.310000000000002 110.273 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -92.97 127.35 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.346 1.059 . . . . 74.329999999999998 108.96 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG2' HG23 ' A' ' 28' ' ' THR . 46.5 mt-30 -133.51 109.8 9.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.479 0.712 . . . . 64.400000000000006 109.798 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.645 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 t-20 -104.48 122.43 45.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 110.002 -0.37 . . . . 73.510000000000005 110.002 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.31 123.61 47.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.598 -0.89 . . . . 63.509999999999998 108.598 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 p30 . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 108.95 -0.759 . . . . 74.010000000000005 108.95 178.28 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.645 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 40.5 m-85 . . . . . 0 CA--C 1.557 1.231 0 N-CA-C 112.204 0.446 . . . . 71.430000000000007 112.204 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.605 HG23 ' HG2' ' A' ' 15' ' ' GLN . 60.9 m -94.49 119.63 33.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.711 0.805 . . . . 65.049999999999997 110.955 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -131.85 158.7 40.64 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.351 1.06 . . . . 75.540000000000006 109.34 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -130.41 111.57 12.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.367 0.667 . . . . 74.099999999999994 109.772 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.36 143.64 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.816 0.846 . . . . 73.140000000000001 110.05 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -98.05 -4.69 35.45 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 122.015 -0.428 . . . . 34.229999999999997 111.12 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 35' ' ' SER . 19.3 m -123.1 137.97 54.78 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.249 0.62 . . . . 71.400000000000006 110.269 -176.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.29 -30.74 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.341 1.056 . . . . 71.540000000000006 111.181 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 33' ' ' THR . 22.4 m -58.58 -54.69 44.21 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.523 0.729 . . . . 73.200000000000003 110.322 174.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -67.03 -21.82 65.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.346 -0.843 . . . . 63.420000000000002 112.344 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 74' ' ' ILE . 1.7 tt -63.6 -51.0 67.17 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.653 0.781 . . . . 73.010000000000005 108.899 170.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -63.7 -34.01 76.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.874 0.87 . . . . 74.239999999999995 111.896 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -63.14 -60.01 4.0 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.719 -0.474 . . . . 72.109999999999999 109.719 172.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.09 -23.07 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 71.439999999999998 112.293 -166.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD12 HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.21 -41.66 63.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.432 0.693 . . . . 72.519999999999996 110.665 175.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.7 -27.25 61.96 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.198 -0.91 . . . . 63.420000000000002 110.048 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -75.66 -40.62 55.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.044 0.538 . . . . 73.230000000000004 110.137 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 27' ' ' TYR . 20.5 tp -70.27 -23.49 62.89 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.966 -0.561 . . . . 43.539999999999999 110.655 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' HG3' HD21 ' A' ' 82' ' ' LEU . 37.9 ttpt -54.42 -39.42 67.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.21 1.004 . . . . 64.430000000000007 111.383 174.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.09 -44.11 87.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.86 0.864 . . . . 73.209999999999994 111.062 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -66.63 -54.87 18.66 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.349 0.66 . . . . 74.349999999999994 110.765 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -58.75 -40.44 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 124.065 0.946 . . . . 55.119999999999997 111.537 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -69.15 -47.47 64.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.62 1.168 . . . . 63.340000000000003 111.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt . . . . . 0 CA--C 1.541 0.603 0 CA-C-N 114.658 -1.156 . . . . 74.420000000000002 111.483 -172.779 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.771 -0.455 . . . . 74.150000000000006 109.771 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 t -139.55 127.75 22.54 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.001 -0.74 . . . . 51.549999999999997 109.001 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -140.12 123.14 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.428 -0.582 . . . . 72.299999999999997 109.428 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -101.46 151.35 22.05 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.384 0.674 . . . . 74.239999999999995 110.422 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -142.22 119.43 11.46 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 108.384 -0.969 . . . . 62.149999999999999 108.384 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.47 HD13 HD21 ' A' ' 37' ' ' LEU . 34.3 mt -118.2 127.4 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 124.293 1.037 . . . . 72.239999999999995 110.366 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 85.0 m -60.33 124.15 19.43 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.543 0.737 . . . . 71.519999999999996 110.79 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 67' ' ' GLU . . . -131.06 102.68 6.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.391 1.077 . . . . 22.420000000000002 109.43 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -58.47 -34.56 71.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.199 0.6 . . . . 61.219999999999999 112.242 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -128.35 166.9 17.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.192 0.997 . . . . 73.129999999999995 109.797 174.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.076 -0.511 . . . . 72.25 110.153 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -50.97 -47.28 61.34 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.139 1.376 . . . . 44.43 110.325 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 36.4 mm-40 -67.09 -47.62 70.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.558 -0.746 . . . . 71.439999999999998 110.404 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.32 71.14 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.372 1.045 . . . . 62.030000000000001 112.853 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 42.1 mt-10 -76.46 -44.6 34.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.617 0.767 . . . . 73.129999999999995 111.862 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -78.63 -23.61 45.73 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.395 0.517 . . . . 73.450000000000003 112.395 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -90.52 -19.43 23.81 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.926 0.49 . . . . 74.150000000000006 111.773 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -60.61 -43.89 96.92 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 108.773 -0.825 . . . . 64.129999999999995 108.773 164.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.41 72.92 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.077 -0.965 . . . . 73.340000000000003 112.001 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.5 HG21 HD22 ' A' ' 37' ' ' LEU . 58.6 mt -62.5 -42.13 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.337 0.655 . . . . 64.239999999999995 110.759 173.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.412 HD21 HD11 ' A' ' 60' ' ' ILE . 98.3 mt -74.6 -35.7 62.97 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.737 -0.665 . . . . 63.520000000000003 112.188 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.594 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -66.9 -36.97 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.158 0.583 . . . . 64.549999999999997 109.731 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.85 -48.12 82.0 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.846 0.858 . . . . 71.25 111.373 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 HD12 ' A' ' 41' ' ' LEU . 58.4 t -71.17 -42.09 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.782 -1.099 . . . . 73.209999999999994 111.626 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -75.95 -18.52 59.3 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.248 0.619 . . . . 73.219999999999999 112.261 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.13 -29.63 63.03 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.994 0.518 . . . . 75.219999999999999 110.638 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.34 -32.78 64.75 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.413 -0.812 . . . . 71.519999999999996 110.241 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 45' ' ' LYS . 60.5 mt -77.39 -26.23 51.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.639 -0.71 . . . . 74.109999999999999 111.282 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.626 0 N-CA-C 110.186 -1.166 . . . . 64.329999999999998 110.186 176.39 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.594 ' HB ' HG13 ' A' ' 76' ' ' ILE . 14.2 mm . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 109.646 -0.502 . . . . 73.299999999999997 109.646 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -88.3 121.34 30.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.433 0.693 . . . . 74.219999999999999 109.773 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 76' ' ' ILE . 15.8 t -107.96 131.42 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.058 0.543 . . . . 64.420000000000002 110.196 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -119.34 107.79 13.8 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.35 -0.981 . . . . 74.209999999999994 108.35 169.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.49 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 19.6 m-90 -81.21 100.08 8.92 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.561 -0.904 . . . . 72.349999999999994 108.561 173.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 95' ' ' THR . 22.0 t70 -73.95 -44.93 53.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.238 0.615 . . . . 74.530000000000001 110.565 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.11 -82.0 0.21 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.649 -0.581 . . . . 61.200000000000003 111.649 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.63 -10.41 59.51 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.217 0.607 . . . . 70.409999999999997 110.932 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 69.3 m -145.29 143.99 30.51 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.019 1.328 . . . . 73.219999999999999 108.38 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.1 p -97.43 139.49 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 108.382 -0.97 . . . . 72.510000000000005 108.382 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -129.53 104.1 7.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.838 -0.801 . . . . 74.209999999999994 108.838 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.45 135.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.294 0.638 . . . . 74.140000000000001 109.899 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.245 0.823 0 C-N-CA 124.45 1.1 . . . . 71.209999999999994 108.318 -174.858 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.154 0.502 . . . . 64.239999999999995 112.254 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -79.63 104.18 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.279 -0.873 . . . . 60.200000000000003 110.458 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -94.85 132.63 39.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.815 -0.809 . . . . 50.420000000000002 108.815 169.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.2 t -118.57 130.05 73.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 C-N-CA 124.818 1.247 . . . . 72.510000000000005 107.954 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.75 144.83 50.04 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.388 -0.967 . . . . 60.030000000000001 108.388 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.5 t-20 -140.28 128.61 22.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.686 0.394 . . . . 61.299999999999997 110.087 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 56' ' ' SER . 15.3 m120 -107.61 112.93 25.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.741 1.216 . . . . 72.230000000000004 108.997 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 . . . . . 0 N--CA 1.481 1.119 0 C-N-CA 122.594 0.358 . . . . 31.440000000000001 110.856 -175.183 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.7 m-85 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 112.351 0.5 . . . . 71.120000000000005 112.351 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 17.3 m -85.84 126.0 33.71 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.441 -0.577 . . . . 62.109999999999999 109.441 172.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -123.37 155.75 36.74 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.686 0.794 . . . . 70.040000000000006 109.84 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.59 105.56 7.62 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.333 -0.988 . . . . 64.329999999999998 108.333 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.95 144.98 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 108.657 -0.868 . . . . 63.5 108.657 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -98.08 -31.51 12.09 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.062 0.458 . . . . 50.310000000000002 110.069 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.581 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 22.6 m -99.47 139.99 34.32 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 61.439999999999998 109.444 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 36.7 mt-10 -66.98 -28.16 68.03 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.71 0.804 . . . . 34.109999999999999 111.328 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.485 ' H ' HG22 ' A' ' 33' ' ' THR . 33.6 t -64.23 -45.67 87.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.872 0.869 . . . . 55.329999999999998 110.685 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 51.7 mt-10 -57.85 -27.95 63.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.708 0.803 . . . . 73.340000000000003 111.139 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 40' ' ' VAL . 27.4 tp -70.87 -36.93 73.03 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.686 -0.688 . . . . 74.099999999999994 111.387 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.16 -32.94 73.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 63.219999999999999 110.127 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -73.46 -47.62 39.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.187 0.995 . . . . 62.310000000000002 111.091 177.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.7 p -65.87 -42.01 91.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 119.127 -0.463 . . . . 65.239999999999995 110.657 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 78' ' ' VAL . 3.1 mm? -64.8 -29.25 70.21 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.453 0.301 . . . . 75.120000000000005 111.806 177.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.55 -50.99 67.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.271 0.628 . . . . 70.200000000000003 110.581 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.46 -29.82 27.73 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.279 0.474 . . . . 52.409999999999997 112.279 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -69.66 -32.9 71.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.219 0.607 . . . . 73.349999999999994 109.819 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HG3' HG13 ' A' ' 78' ' ' VAL . 36.1 ttpt -49.94 -37.1 30.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.037 1.335 . . . . 73.439999999999998 112.082 175.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.16 -43.37 91.99 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.813 0.845 . . . . 72.0 111.088 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -72.88 -34.23 66.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.43 0.692 . . . . 71.439999999999998 110.486 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.625 HG23 ' HB2' ' A' ' 56' ' ' SER . 79.6 mt -68.94 -30.33 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 125.427 1.491 . . . . 75.349999999999994 110.432 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -85.22 -31.5 23.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.963 0.905 . . . . 61.509999999999998 110.303 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 124.311 1.044 . . . . 70.310000000000002 109.868 177.87 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 121.561 0.696 . . . . 74.519999999999996 111.577 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.625 ' HB2' HG23 ' A' ' 48' ' ' ILE . 50.0 m -133.4 119.66 19.93 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.24 -1.393 . . . . 71.420000000000002 107.24 166.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -98.91 122.91 42.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.568 0.747 . . . . 64.129999999999995 110.844 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 m -102.25 143.29 32.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.223 0.609 . . . . 73.200000000000003 109.573 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -141.42 119.97 12.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.672 -1.233 . . . . 72.519999999999996 107.672 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.5 mt -124.91 139.28 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.048 0.939 . . . . 74.340000000000003 110.452 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -56.56 130.52 45.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.218 1.007 . . . . 70.530000000000001 111.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.07 133.45 35.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.031 0.932 . . . . 63.409999999999997 108.847 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -94.17 -40.48 10.01 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.865 -0.522 . . . . 71.230000000000004 110.975 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.445 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 67.9 p -122.61 171.46 9.12 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.893 0.877 . . . . 75.420000000000002 108.968 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -64.36 -30.09 71.15 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.453 0.301 . . . . 63.450000000000003 110.571 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -67.31 -31.31 71.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.49 0.716 . . . . 74.340000000000003 110.308 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 6.9 mm-40 -73.81 -40.07 63.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.685 0.755 . . . . 73.109999999999999 110.065 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.52 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -66.63 -38.07 86.14 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.581 -1.19 . . . . 54.450000000000003 111.964 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.04 -32.46 30.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.654 0.382 . . . . 74.129999999999995 111.642 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 64.6 pttt -69.26 -36.17 76.84 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.767 0.318 . . . . 70.450000000000003 110.207 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 17.1 m-30 -88.29 -17.23 31.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.214 0.605 . . . . 65.200000000000003 112.624 177.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HE1' ' A' ' 91' ' ' TRP . . . -58.42 -43.12 88.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.204 -0.665 . . . . 74.230000000000004 109.204 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.7 80.26 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.081 0.863 . . . . 73.0 111.936 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.83 -36.79 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.148 0.979 . . . . 72.319999999999993 111.051 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.11 -45.02 15.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.865 0.466 . . . . 73.340000000000003 111.334 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.17 -32.8 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.819 0.848 . . . . 54.509999999999998 111.074 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.32 86.46 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.586 0.754 . . . . 65.109999999999999 111.289 174.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 41' ' ' LEU . 37.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.851 0.861 . . . . 62.200000000000003 110.823 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.63 -29.07 69.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.813 0.845 . . . . 74.430000000000007 111.549 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.123 0.569 . . . . 62.039999999999999 110.879 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.99 -26.88 62.42 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.576 -0.738 . . . . 71.450000000000003 111.253 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 51.1 mt -73.95 -30.11 62.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.944 -0.391 . . . . 73.329999999999998 109.944 174.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.325 0 C-N-CA 124.624 1.107 . . . . 54.210000000000001 115.596 170.224 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.1 mm . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.639 -0.504 . . . . 34.229999999999997 109.639 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.68 112.15 24.3 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.795 -0.817 . . . . 52.350000000000001 108.795 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.2 p -108.35 138.94 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.715 -0.846 . . . . 72.150000000000006 108.715 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.6 m -144.46 125.2 14.17 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.808 0.843 . . . . 63.340000000000003 108.859 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.52 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 12.4 m-90 -99.95 106.84 18.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.451 0.7 . . . . 72.230000000000004 109.24 177.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.2 -24.05 65.81 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.667 0.787 . . . . 74.329999999999998 110.397 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.46 -61.62 0.31 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.985 -1.246 . . . . 64.530000000000001 109.985 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.89 -11.75 54.93 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.836 -0.682 . . . . 74.540000000000006 110.591 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 m -146.11 145.59 30.58 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.569 0.748 . . . . 65.129999999999995 109.542 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.71 133.28 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 108.747 -0.835 . . . . 74.310000000000002 108.747 166.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 m -135.02 121.07 19.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.115 0.566 . . . . 75.109999999999999 110.074 -174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.6 143.91 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.755 0.822 . . . . 74.120000000000005 109.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.551 0.981 0 C-N-CA 124.617 1.167 . . . . 63.420000000000002 108.501 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 121.234 0.54 . . . . 74.340000000000003 112.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.463 ' HB ' HG23 ' A' ' 31' ' ' VAL . 30.1 mt -78.2 103.45 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 114.301 -1.318 . . . . 73.329999999999998 109.374 -171.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -91.84 122.73 34.64 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 108.191 -1.04 . . . . 64.019999999999996 108.191 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG21 HD12 ' A' ' 37' ' ' LEU . 43.5 t -116.84 104.73 17.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 108.64 -0.874 . . . . 71.209999999999994 108.64 -175.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.0 108.2 18.84 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.981 -0.748 . . . . 75.129999999999995 108.981 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -102.82 109.98 21.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.324 -1.362 . . . . 60.149999999999999 107.324 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -103.74 118.28 36.34 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.523 -0.917 . . . . 74.310000000000002 108.523 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 . . . . . 0 C--O 1.239 0.534 0 C-N-CA 123.603 0.761 . . . . 73.439999999999998 109.531 -168.603 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 109.881 -0.415 . . . . 63.310000000000002 109.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 36.9 m -93.65 124.48 37.68 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.256 175.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.51 164.0 16.44 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 124.711 1.205 . . . . 75.239999999999995 108.612 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.2 m -127.94 104.79 8.0 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 37' ' ' LEU . 29.0 m -109.35 157.19 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 108.696 -0.853 . . . . 70.340000000000003 108.696 173.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.0 t -114.99 -9.41 12.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.303 0.641 . . . . 64.430000000000007 109.932 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.2 m -141.71 150.28 41.63 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 124.106 0.963 . . . . 62.119999999999997 109.924 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.7 -33.51 72.63 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.719 1.208 . . . . 71.049999999999997 111.805 -175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 p -58.96 -49.41 77.96 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.516 0.51 . . . . 63.109999999999999 110.028 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.36 -40.37 96.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.054 -0.975 . . . . 74.329999999999998 110.507 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.504 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.44 -47.51 81.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.576 1.15 . . . . 74.5 112.047 177.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.25 -31.38 70.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.063 0.545 . . . . 75.400000000000006 111.266 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -70.42 -37.4 74.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.691 -0.485 . . . . 74.329999999999998 109.691 173.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.2 t -61.34 -39.19 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 O-C-N 123.724 0.64 . . . . 62.43 109.874 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.9 mm? -68.36 -32.99 73.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.221 0.608 . . . . 71.219999999999999 111.947 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.36 -47.97 74.58 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.551 0.74 . . . . 75.0 110.788 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.05 -39.65 65.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.914 -0.585 . . . . 71.219999999999999 110.73 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.69 -38.8 91.82 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.51 1.124 . . . . 43.100000000000001 110.808 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.7 ttpt -49.08 -44.26 41.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.15 1.38 . . . . 71.219999999999999 111.429 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.98 -45.21 82.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.636 -1.165 . . . . 62.350000000000001 110.718 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -63.07 -54.93 30.34 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.362 0.665 . . . . 72.239999999999995 111.825 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -44.79 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.402 1.081 . . . . 73.239999999999995 111.128 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HB2' HD22 ' A' ' 82' ' ' LEU . 80.9 tttt -68.56 -40.5 80.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.268 -0.878 . . . . 73.140000000000001 110.918 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 123.86 0.864 . . . . 70.140000000000001 111.08 -176.56 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.76 0.314 . . . . 61.109999999999999 110.513 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.6 p -124.66 157.5 35.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.923 0.889 . . . . 54.439999999999998 109.509 173.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -127.77 109.95 12.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.785 0.834 . . . . 70.010000000000005 109.265 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.5 m -93.65 134.68 35.7 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.326 -0.62 . . . . 75.129999999999995 109.326 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 m -126.52 119.54 27.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.105 -1.072 . . . . 74.200000000000003 108.105 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.524 HG21 ' CD2' ' A' ' 71' ' ' PHE . 63.0 mt -121.2 134.16 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.786 0.834 . . . . 64.150000000000006 109.816 -173.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -59.7 122.1 13.3 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.0 0.812 . . . . 75.400000000000006 110.889 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.09 99.95 5.25 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.502 1.121 . . . . 74.0 108.414 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -86.18 -41.67 14.49 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.117 0.967 . . . . 72.510000000000005 109.401 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.6 p -104.31 155.23 18.93 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 114.9 -1.046 . . . . 73.299999999999997 109.646 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.25 -27.26 68.93 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.891 -0.595 . . . . 73.030000000000001 110.65 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 59.0 mmtt -64.21 -38.28 90.47 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 123.531 0.519 . . . . 60.020000000000003 111.608 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.98 -47.43 77.6 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.529 0.518 . . . . 71.340000000000003 109.744 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.56 -37.5 70.63 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 115.75 -0.659 . . . . 60.350000000000001 111.936 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -73.3 -59.55 2.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.098 0.959 . . . . 71.319999999999993 111.165 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 71' ' ' PHE . 57.0 pttt -68.27 -38.81 82.1 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.119 -0.491 . . . . 75.430000000000007 112.144 -169.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 60' ' ' ILE . 35.9 m-85 -68.28 -33.03 73.61 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.502 0.321 . . . . 74.200000000000003 110.804 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.422 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -58.38 -44.02 88.74 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 123.557 0.536 . . . . 72.540000000000006 110.403 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -60.92 -48.08 83.48 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.957 0.786 . . . . 72.430000000000007 110.881 176.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.02 -36.85 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.724 1.21 . . . . 72.420000000000002 111.174 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 95.9 mt -74.37 -46.42 40.65 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.17 0.588 . . . . 72.530000000000001 111.124 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.686 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -57.48 -37.72 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 123.461 0.704 . . . . 73.5 111.237 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 61.6 mtpt -61.36 -48.78 79.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.657 0.783 . . . . 60.310000000000002 110.99 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' LEU . 76.7 t -69.56 -42.26 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.014 0.925 . . . . 64.329999999999998 111.24 -177.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -69.34 -25.17 64.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.621 0.768 . . . . 73.150000000000006 112.082 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.21 77.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.186 0.595 . . . . 60.420000000000002 110.384 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.02 -25.54 64.54 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.346 -0.843 . . . . 64.319999999999993 111.158 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 49' ' ' LYS . 43.4 mt -96.08 -26.0 15.68 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.831 0.853 . . . . 64.430000000000007 111.893 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.707 0 N-CA-C 110.958 -0.857 . . . . 63.539999999999999 110.958 -177.492 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.546 -0.539 . . . . 73.219999999999999 109.546 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -87.57 110.72 20.57 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.359 -0.608 . . . . 61.049999999999997 109.359 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.686 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.1 p -105.91 126.96 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.529 -0.915 . . . . 73.129999999999995 108.529 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.5 m -141.14 113.26 7.91 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.012 -0.736 . . . . 73.5 109.012 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -80.43 105.12 11.44 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 109.433 -0.58 . . . . 73.010000000000005 109.433 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.96 -27.09 68.9 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.054 0.942 . . . . 74.439999999999998 111.484 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.8 -80.24 0.33 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.232 -1.147 . . . . 43.210000000000001 110.232 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.1 -9.03 58.28 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.094 0.558 . . . . 63.210000000000001 110.836 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -142.43 144.7 33.19 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.425 1.09 . . . . 55.530000000000001 108.925 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -98.26 131.78 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 108.436 -0.95 . . . . 61.310000000000002 108.436 166.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.8 m -122.97 129.59 51.74 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.671 0.788 . . . . 62.130000000000003 109.716 -177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.42 130.58 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.972 . . . . 30.199999999999999 108.776 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.545 0.753 0 C-N-CA 124.082 0.953 . . . . 64.010000000000005 109.695 -178.052 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.044 -0.724 . . . . 73.120000000000005 109.044 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.22 105.26 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 115.766 -0.652 . . . . 75.010000000000005 110.281 -172.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -85.37 111.28 19.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.88 0.872 . . . . 73.420000000000002 109.202 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -92.14 108.75 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 107.984 -1.117 . . . . 72.150000000000006 107.984 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -101.94 111.26 23.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.757 0.823 . . . . 71.219999999999999 109.969 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.65 114.43 28.69 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.539 -0.912 . . . . 73.430000000000007 108.539 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . 26.4 t-20 -103.02 125.16 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.774 0.83 . . . . 74.010000000000005 109.033 174.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.198 -1.038 . . . . 71.450000000000003 108.198 176.088 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 121.429 0.633 . . . . 64.219999999999999 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -86.58 129.14 34.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.446 -0.797 . . . . 71.299999999999997 110.183 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -111.97 149.58 31.77 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.947 0.899 . . . . 74.439999999999998 109.0 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.9 m -129.4 105.02 7.83 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.117 -1.068 . . . . 72.450000000000003 108.117 173.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.26 132.65 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.566 0.746 . . . . 71.409999999999997 109.671 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.9 t -88.89 -17.04 30.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.106 0.562 . . . . 61.200000000000003 110.566 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 35' ' ' SER . 24.7 m -129.32 144.36 51.2 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.86 0.864 . . . . 64.019999999999996 109.976 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.03 -24.42 67.48 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.394 1.078 . . . . 72.150000000000006 112.62 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 33' ' ' THR . 53.0 p -61.71 -52.54 63.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.775 0.43 . . . . 72.230000000000004 110.194 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.833 0.853 . . . . 54.240000000000002 111.609 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 60' ' ' ILE . 2.4 tt -58.52 -47.01 85.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.993 0.917 . . . . 71.030000000000001 109.451 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -57.95 -47.63 82.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.237 -0.892 . . . . 65.200000000000003 109.837 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.67 -50.72 71.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.135 0.574 . . . . 73.200000000000003 111.272 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.407 HG23 HD22 ' A' ' 41' ' ' LEU . 34.4 m -60.83 -24.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 N-CA-C 112.458 0.54 . . . . 62.229999999999997 112.458 -171.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 ' HG ' HG22 ' A' ' 74' ' ' ILE . 4.4 mm? -78.37 -36.43 46.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.031 0.532 . . . . 74.430000000000007 111.86 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -64.32 -41.54 96.76 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 110.002 -0.37 . . . . 65.450000000000003 110.002 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -70.96 -44.49 65.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.763 0.664 . . . . 65.530000000000001 109.641 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.01 -40.25 76.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.103 0.961 . . . . 70.510000000000005 111.822 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 36.3 ttpt -54.82 -37.39 66.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.052 0.845 . . . . 73.540000000000006 111.483 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.68 -47.92 81.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.683 0.793 . . . . 42.439999999999998 110.481 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -65.07 -41.98 94.6 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.859 0.724 . . . . 73.25 111.39 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.44 -41.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.291 0.636 . . . . 70.200000000000003 110.456 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -79.93 -19.98 46.78 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.735 0.414 . . . . 70.200000000000003 111.315 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.355 0.598 . . . . 71.109999999999999 109.608 173.167 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.03 -0.73 . . . . 74.230000000000004 109.03 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -125.06 108.78 12.17 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.066 -1.087 . . . . 74.439999999999998 108.066 170.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 37.5 ttm180 -133.9 132.73 40.63 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.556 -1.275 . . . . 74.219999999999999 107.556 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.4 m -140.64 145.19 36.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.665 -0.865 . . . . 70.200000000000003 108.665 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -145.17 157.1 44.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.932 0.893 . . . . 72.230000000000004 109.115 -168.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.418 HD13 HD21 ' A' ' 37' ' ' LEU . 81.1 mt -143.15 131.51 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.91 0.884 . . . . 54.409999999999997 109.24 -174.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 m -62.14 136.4 57.93 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 123.578 0.549 . . . . 64.439999999999998 110.804 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.17 103.75 4.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.045 0.938 . . . . 63.350000000000001 109.203 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -65.9 -28.25 68.8 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.011 0.434 . . . . 73.540000000000006 110.613 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -130.89 160.86 33.22 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.013 0.925 . . . . 64.209999999999994 109.375 172.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 31.9 ttpt -64.79 -30.06 71.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.608 0.363 . . . . 72.230000000000004 110.817 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -34.78 71.74 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 117.95 0.341 . . . . 71.540000000000006 110.576 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 42.0 mt-10 -68.86 -43.13 76.05 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.686 -0.688 . . . . 62.020000000000003 110.422 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.26 69.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.298 0.639 . . . . 42.32 112.215 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 8.4 mm-40 -78.55 -52.51 8.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.934 0.494 . . . . 73.319999999999993 111.101 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 59.3 pttt -67.29 -29.98 69.72 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.027 0.441 . . . . 64.109999999999999 111.335 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 19.6 m-30 -89.03 -17.73 28.77 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.396 0.678 . . . . 72.109999999999999 112.4 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.98 -43.82 82.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.036 -0.728 . . . . 74.140000000000001 109.036 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.89 74.99 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.14 -0.936 . . . . 64.329999999999998 112.032 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.601 HG22 ' HG ' ' A' ' 41' ' ' LEU . 63.1 mt -62.25 -38.09 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.918 0.887 . . . . 73.239999999999995 110.735 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.68 -39.93 56.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.183 0.593 . . . . 74.239999999999995 111.173 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.13 -35.57 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 123.858 0.863 . . . . 73.420000000000002 111.063 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.444 ' HA ' ' HE3' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -59.02 -33.25 70.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.514 0.726 . . . . 55.229999999999997 111.856 177.35 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG21 HD12 ' A' ' 41' ' ' LEU . 91.9 t -72.98 -57.58 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.442 0.697 . . . . 72.019999999999996 110.411 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.83 -21.85 62.4 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.861 0.689 . . . . 61.130000000000003 112.861 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.67 74.24 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.926 0.491 . . . . 70.239999999999995 110.442 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 7.3 mm-40 -87.1 -18.15 31.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.414 0.685 . . . . 73.030000000000001 111.326 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.3 mt -87.59 -12.61 45.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.174 0.59 . . . . 72.239999999999995 111.476 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.419 0 C-N-CA 121.933 -0.175 . . . . 54.329999999999998 113.478 178.071 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 108.224 -1.028 . . . . 74.340000000000003 108.224 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.1 t30 -124.37 104.15 8.61 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.859 -1.163 . . . . 64.450000000000003 107.859 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.56 139.12 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 109.524 -0.546 . . . . 73.230000000000004 109.524 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.7 m -146.05 129.22 16.62 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.804 1.242 . . . . 74.120000000000005 108.011 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.9 m-90 -102.58 112.09 24.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 71.230000000000004 109.443 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.66 0.47 55.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.889 0.876 . . . . 72.319999999999993 110.856 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.93 -78.63 1.0 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.874 -0.89 . . . . 63.310000000000002 110.874 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 -17.07 61.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.867 0.867 . . . . 63.020000000000003 111.275 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 m -145.55 146.23 31.32 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.877 0.871 . . . . 73.219999999999999 109.764 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.26 140.64 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.975 -0.75 . . . . 62.210000000000001 108.975 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.9 m -133.47 125.12 28.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.319 0.648 . . . . 54.25 110.26 -175.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 88' ' ' ASN . 96.8 t -117.38 123.78 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 62.009999999999998 109.494 170.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 124.488 1.115 . . . . 75.329999999999998 108.607 176.787 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.18 0.514 . . . . 54.109999999999999 111.927 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.583 HG21 HD22 ' A' ' 37' ' ' LEU . 55.7 mt -88.86 107.71 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 115.295 -0.866 . . . . 72.109999999999999 109.82 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.87 141.51 33.33 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.952 0.501 . . . . 75.340000000000003 110.182 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 47.8 t -128.28 127.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.122 0.969 . . . . 73.230000000000004 109.33 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -135.06 118.14 16.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.371 0.668 . . . . 62.399999999999999 110.509 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.766 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 25.3 t-20 -105.16 113.0 26.33 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.78 -1.193 . . . . 63.030000000000001 107.78 168.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.59 123.76 48.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.672 -0.862 . . . . 75.239999999999995 108.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 56' ' ' SER . 51.7 t-20 . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 107.439 -1.319 . . . . 70.150000000000006 107.439 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.766 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.9 m-85 . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.438 0.637 . . . . 74.109999999999999 109.937 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 m -93.18 121.05 34.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.781 -1.099 . . . . 72.239999999999995 109.629 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 75.6 m-85 -132.62 155.97 47.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.74 0.816 . . . . 61.329999999999998 108.934 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.4 m -130.87 106.89 8.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.615 -1.254 . . . . 51.409999999999997 107.615 169.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 12' ' ' ILE . 19.6 m -103.26 133.17 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.221 0.609 . . . . 75.349999999999994 109.477 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -86.7 -12.25 48.86 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.587 -0.733 . . . . 73.049999999999997 111.43 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 35' ' ' SER . 31.3 m -140.73 149.24 41.91 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.321 0.648 . . . . 61.409999999999997 110.014 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.98 -28.28 67.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.176 0.99 . . . . 73.219999999999999 110.628 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.583 ' H ' HG22 ' A' ' 33' ' ' THR . 11.5 m -64.26 -48.07 77.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.179 0.992 . . . . 53.520000000000003 110.131 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.35 -30.13 70.94 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.47 0.708 . . . . 74.349999999999994 110.851 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.583 HD22 HG21 ' A' ' 12' ' ' ILE . 37.4 tp -67.74 -38.76 83.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.629 0.772 . . . . 71.420000000000002 111.142 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -64.77 -51.72 60.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.218 -0.66 . . . . 63.32 109.218 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -57.86 -46.24 85.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.677 1.191 . . . . 54.119999999999997 112.305 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.86 -35.36 69.07 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 CA-C-O 119.136 -0.459 . . . . 45.039999999999999 110.532 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.594 HD12 HG21 ' A' ' 78' ' ' VAL . 3.4 mm? -73.97 -29.65 62.1 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.022 0.529 . . . . 54.43 111.731 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.29 -47.74 84.26 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.65 0.593 . . . . 62.310000000000002 109.839 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.99 -32.72 39.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.531 0.52 . . . . 72.150000000000006 111.598 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 30.0 tp -61.33 -28.85 69.51 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.187 0.595 . . . . 74.310000000000002 110.758 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -46.38 -46.34 18.41 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.978 1.311 . . . . 74.239999999999995 112.654 173.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 31.2 t70 -65.25 -42.65 93.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.596 1.159 . . . . 70.420000000000002 110.956 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB2' HD12 ' A' ' 44' ' ' LEU . 96.1 m-85 -66.25 -44.38 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.078 0.951 . . . . 74.299999999999997 111.797 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.75 -40.05 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.717 1.207 . . . . 72.010000000000005 109.947 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -67.41 -29.0 68.38 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.969 0.907 . . . . 71.140000000000001 111.718 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 65.1 mttm . . . . . 0 N--CA 1.487 1.405 0 C-N-CA 123.322 0.649 . . . . 73.540000000000006 110.744 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 . . . . . 0 N--CA 1.476 0.849 0 CA-C-O 120.809 0.338 . . . . 73.340000000000003 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.471 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . 32.9 p -131.76 143.23 50.08 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.777 0.831 . . . . 64.109999999999999 108.935 172.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -120.82 110.13 15.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.382 1.073 . . . . 73.25 108.608 -175.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -107.43 118.25 36.24 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.731 -0.47 . . . . 72.040000000000006 109.731 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -109.71 120.47 42.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.901 0.881 . . . . 65.010000000000005 108.944 175.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.423 HD13 HD11 ' A' ' 37' ' ' LEU . 64.3 mt -112.59 127.83 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.835 -0.802 . . . . 74.129999999999995 108.835 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -66.73 101.57 0.82 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.138 0.575 . . . . 70.409999999999997 109.575 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 67' ' ' GLU . . . -99.73 121.55 41.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.652 -1.24 . . . . 64.030000000000001 107.652 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.0 -30.38 69.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.839 -0.619 . . . . 74.409999999999997 112.56 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 69.3 p -131.61 170.96 14.03 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.891 . . . . 43.340000000000003 108.859 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -28.28 69.45 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 110.683 171.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.89 -44.67 91.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.369 1.067 . . . . 72.129999999999995 110.228 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.7 mm-40 -64.84 -42.33 95.0 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.757 -0.656 . . . . 74.109999999999999 110.081 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 91' ' ' TRP . . . -64.48 -24.62 67.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.5 0.926 . . . . 71.540000000000006 113.5 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.83 -48.81 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.31 0.644 . . . . 61.210000000000001 111.853 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 52.6 pttt -77.52 -25.42 50.22 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.997 -0.547 . . . . 71.030000000000001 111.036 -175.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 13.4 m-30 -86.0 -19.44 30.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.736 0.415 . . . . 74.209999999999994 110.993 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.504 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.07 -46.03 90.91 Favored 'General case' 0 C--O 1.205 -1.289 0 N-CA-C 108.158 -1.052 . . . . 61.100000000000001 108.158 164.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.65 82.71 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.066 0.547 . . . . 43.520000000000003 112.355 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.42 HG22 ' HG ' ' A' ' 41' ' ' LEU . 48.2 mt -58.32 -49.25 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 123.923 0.889 . . . . 73.219999999999999 110.981 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.91 -40.76 68.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.541 0.736 . . . . 73.120000000000005 112.386 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 89' ' ' VAL . 1.3 mp -63.53 -34.66 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.593 0.757 . . . . 70.299999999999997 110.371 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -47.29 86.34 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.379 0.672 . . . . 61.420000000000002 110.368 175.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.594 HG21 HD12 ' A' ' 41' ' ' LEU . 49.8 t -56.62 -61.06 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.311 1.007 . . . . 62.439999999999998 111.246 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -67.63 -30.23 69.75 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.2 0.6 . . . . 71.219999999999999 112.421 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.95 85.76 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.762 0.425 . . . . 75.420000000000002 110.715 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -37.01 82.74 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.175 -0.92 . . . . 74.239999999999995 110.721 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.7 mt -69.65 -25.29 63.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.278 0.631 . . . . 71.219999999999999 112.054 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.129 0 CA-C-O 120.054 -0.303 . . . . 62.119999999999997 112.658 179.104 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.565 ' HB ' HG13 ' A' ' 76' ' ' ILE . 23.1 mm . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 110.838 -0.06 . . . . 75.430000000000007 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -88.62 118.03 28.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.281 0.632 . . . . 73.319999999999993 109.946 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 76' ' ' ILE . 3.9 t -115.81 133.84 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.206 1.002 . . . . 61.43 109.408 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.9 m -141.87 124.67 16.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.597 -0.89 . . . . 73.439999999999998 108.597 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.402 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 19.3 m-90 -98.7 148.05 24.25 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.587 -0.523 . . . . 73.5 109.587 174.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.59 113.46 4.15 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.58 -0.896 . . . . 72.019999999999996 108.58 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.02 46.46 92.56 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 116.065 -0.516 . . . . 72.400000000000006 112.911 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 7.8 m-20 65.54 7.99 4.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.086 1.354 . . . . 72.109999999999999 113.267 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -96.96 126.36 42.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.401 -0.963 . . . . 71.340000000000003 108.401 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -90.96 108.73 20.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 121.727 0.775 . . . . 75.340000000000003 109.394 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.1 m -107.52 105.29 15.12 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.604 -1.18 . . . . 71.150000000000006 109.194 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 68.3 t -111.73 110.35 31.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 123.866 0.866 . . . . 72.129999999999995 108.855 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 56' ' ' SER . 41.2 tt0 . . . . . 0 C--O 1.245 0.836 0 C-N-CA 123.57 0.748 . . . . 64.040000000000006 109.858 -177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 121.449 0.642 . . . . 65.230000000000004 109.566 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 37' ' ' LEU . 44.9 mt -80.93 103.22 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.496 -1.229 . . . . 71.409999999999997 108.999 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.417 ' H ' ' HB ' ' A' ' 61' ' ' THR . 60.7 tt0 -87.38 113.32 22.98 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.567 0.747 . . . . 75.420000000000002 109.222 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.53 106.55 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.373 1.069 . . . . 71.099999999999994 108.257 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -108.47 143.13 37.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.918 0.887 . . . . 72.129999999999995 109.178 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.56 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.9 t-20 -146.15 116.35 7.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.123 -1.066 . . . . 73.450000000000003 108.123 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -101.95 111.85 24.26 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.343 1.057 . . . . 71.510000000000005 108.308 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 107.994 -1.113 . . . . 70.439999999999998 107.994 -175.109 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.1 m-85 . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.263 0.078 . . . . 71.400000000000006 111.077 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.7 m -139.44 122.08 16.34 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.356 0.662 . . . . 64.420000000000002 110.423 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -123.04 156.05 35.63 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.33 1.052 . . . . 73.209999999999994 108.783 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.3 m -132.45 112.2 11.93 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.968 -0.752 . . . . 75.299999999999997 108.968 172.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -116.11 143.16 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 109.067 -0.716 . . . . 73.400000000000006 109.067 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 t -104.02 16.07 27.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.061 0.544 . . . . 65.299999999999997 109.671 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.565 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 9.3 m -145.63 142.16 28.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.103 0.561 . . . . 61.310000000000002 109.976 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.39 -31.65 58.1 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.431 1.092 . . . . 73.040000000000006 111.007 -172.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -62.41 -38.46 89.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.385 -0.825 . . . . 71.150000000000006 110.42 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.565 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 29.1 mm-40 -67.1 -23.98 65.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.507 -0.77 . . . . 74.239999999999995 111.968 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 12' ' ' ILE . 65.3 mt -59.08 -42.68 91.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.469 0.708 . . . . 74.319999999999993 111.187 171.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -59.6 -53.93 52.37 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.319 0.647 . . . . 73.319999999999993 110.245 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.68 -45.73 88.77 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.527 0.331 . . . . 74.239999999999995 111.595 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 37' ' ' LEU . 3.2 p -72.81 -22.27 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 116.53 -0.304 . . . . 74.510000000000005 111.303 -171.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -84.58 -22.58 30.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.078 0.551 . . . . 70.319999999999993 111.812 173.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -64.3 -49.45 71.73 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.869 0.467 . . . . 65.439999999999998 110.241 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.31 -46.63 69.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.708 -0.678 . . . . 73.120000000000005 110.712 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.72 -28.64 70.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.678 0.791 . . . . 72.150000000000006 111.892 -173.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG3' HD21 ' A' ' 82' ' ' LEU . 19.6 ttpp -49.77 -51.11 41.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.8 1.24 . . . . 62.130000000000003 112.251 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.51 -31.18 63.57 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.181 -0.918 . . . . 63.5 111.409 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -70.68 -44.48 66.92 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.052 0.541 . . . . 71.040000000000006 110.793 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.53 -40.45 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.625 1.17 . . . . 72.140000000000001 110.123 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.6 tttt -56.4 -48.61 76.57 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.071 0.948 . . . . 70.400000000000006 111.262 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt . . . . . 0 CA--C 1.549 0.914 0 CA-C-N 114.772 -1.104 . . . . 63.549999999999997 111.156 -177.702 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.15 0.5 . . . . 75.230000000000004 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 p -138.44 117.02 12.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.429 1.091 . . . . 72.129999999999995 109.594 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 99' ' ' GLU . 31.1 ttp-105 -92.84 109.17 20.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.648 0.779 . . . . 71.430000000000007 110.128 -174.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -97.89 145.62 26.25 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.4 0.68 . . . . 74.420000000000002 109.364 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -145.33 132.47 20.42 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.9 0.88 . . . . 64.239999999999995 108.688 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -121.26 130.58 74.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 123.54 0.736 . . . . 72.099999999999994 109.048 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 49.0 m -73.24 111.98 8.86 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.196 0.935 . . . . 74.120000000000005 110.212 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 94' ' ' ASP . . . -113.13 160.69 17.95 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 106.107 -1.812 . . . . 75.140000000000001 106.107 169.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' A' ' 63' ' ' ARG . 2.5 mmp_? -104.77 -32.36 8.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.715 -0.616 . . . . 72.329999999999998 109.873 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.9 p -126.02 161.88 26.54 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 124.451 1.1 . . . . 65.099999999999994 108.785 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -67.86 -26.81 66.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.735 0.414 . . . . 74.530000000000001 111.561 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -63.23 -29.85 71.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.624 0.77 . . . . 54.439999999999998 110.606 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.3 mt-10 -83.25 -33.71 25.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.048 -0.524 . . . . 74.540000000000006 110.657 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.97 71.37 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 122.854 0.462 . . . . 64.549999999999997 111.758 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.33 -38.32 56.11 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.833 0.453 . . . . 70.319999999999993 111.454 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.4 pttt -75.34 -26.57 58.71 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.993 0.425 . . . . 75.040000000000006 110.614 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -88.66 -18.06 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.139 0.576 . . . . 75.120000000000005 111.497 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.421 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.78 -44.78 96.35 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.224 -1.028 . . . . 71.540000000000006 108.224 165.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.9 78.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.403 -0.817 . . . . 72.230000000000004 111.646 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.79 -57.75 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.56 0.744 . . . . 64.530000000000001 111.114 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.94 -37.86 87.15 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.632 0.975 . . . . 72.310000000000002 113.632 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 72' ' ' ALA . 1.7 mp -68.5 -37.28 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.5 0.72 . . . . 74.219999999999999 110.476 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -45.98 77.01 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.279 0.632 . . . . 51.219999999999999 110.978 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 41' ' ' LEU . 54.6 t -60.06 -53.75 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.977 0.911 . . . . 75.209999999999994 110.936 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' HB3' HD12 ' A' ' 87' ' ' ILE . 19.5 m-85 -72.44 -17.68 61.76 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.607 -0.724 . . . . 72.219999999999999 112.381 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.41 80.6 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.957 0.408 . . . . 72.310000000000002 110.382 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.1 -25.83 61.02 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.874 -0.603 . . . . 52.049999999999997 110.898 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 49' ' ' LYS . 47.0 mt -83.06 -23.76 33.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.049 0.54 . . . . 73.450000000000003 111.13 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.944 0 N-CA-C 110.93 -0.868 . . . . 51.310000000000002 110.93 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 79' ' ' TYR . 15.4 mm . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.472 -0.566 . . . . 73.140000000000001 109.472 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -89.62 125.17 35.13 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.839 -0.8 . . . . 70.319999999999993 108.839 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.48 144.99 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.392 1.077 . . . . 71.450000000000003 109.652 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 97' ' ' THR . 90.4 m -128.69 132.53 48.03 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.487 1.115 . . . . 74.230000000000004 108.339 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.71 99.82 8.0 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.35 -0.981 . . . . 74.120000000000005 108.35 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.93 68.65 1.28 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.888 0.851 . . . . 64.049999999999997 109.155 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.55 -97.19 0.23 Allowed Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.177 -1.374 . . . . 71.420000000000002 113.556 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 9.1 p-10 -92.3 -8.09 46.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 53.149999999999999 110.986 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -115.33 120.08 38.44 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.924 -0.485 . . . . 63.329999999999998 109.882 -176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.21 130.99 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.38 -0.6 . . . . 71.420000000000002 109.38 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 54.4 m -128.38 137.47 51.89 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.278 1.031 . . . . 64.120000000000005 110.149 -171.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.64 114.2 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.146 0.978 . . . . 73.349999999999994 109.798 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 57' ' ' ARG . 35.6 tt0 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 124.465 1.106 . . . . 74.230000000000004 110.095 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.095 0.474 . . . . 73.150000000000006 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.602 HG21 HD11 ' A' ' 37' ' ' LEU . 32.1 mt -107.86 105.37 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.038 -1.097 . . . . 75.430000000000007 108.038 175.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' A' ' 15' ' ' GLN . 6.3 tp-100 -87.9 120.47 29.27 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.22 0.608 . . . . 73.530000000000001 110.422 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' THR . 41.9 t -96.12 125.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 107.971 -1.122 . . . . 70.420000000000002 107.971 173.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' A' ' 13' ' ' GLN . 54.8 mt-30 -133.02 153.12 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.13 0.972 . . . . 72.310000000000002 109.471 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.615 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.5 t-20 -144.79 151.26 38.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.657 0.783 . . . . 52.310000000000002 109.715 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.46 108.82 8.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.058 -1.09 . . . . 73.530000000000001 108.058 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 . . . . . 0 C--O 1.24 0.595 0 N-CA-C 109.026 -0.731 . . . . 73.099999999999994 109.026 178.188 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.615 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 21.4 m-85 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 121.419 0.628 . . . . 74.299999999999997 111.627 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 90.6 m -86.04 116.85 24.51 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.329 -0.851 . . . . 74.230000000000004 109.72 -173.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -132.02 122.49 25.58 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.021 -1.103 . . . . 64.230000000000004 108.021 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -94.61 106.83 18.82 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.533 -0.914 . . . . 63.340000000000003 108.533 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 12' ' ' ILE . 26.3 m -100.73 173.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.228 -1.027 . . . . 72.239999999999995 108.228 172.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -135.17 -9.85 2.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.902 0.481 . . . . 72.510000000000005 110.734 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.631 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.2 m -117.41 142.78 46.72 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.932 0.893 . . . . 50.009999999999998 109.119 -177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.28 -33.44 75.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.84 0.856 . . . . 74.209999999999994 110.407 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -59.31 -38.58 80.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.187 0.995 . . . . 54.329999999999998 112.0 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.2 mt-10 -65.37 -28.84 69.56 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.361 -0.836 . . . . 72.129999999999995 111.91 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD11 HG21 ' A' ' 12' ' ' ILE . 73.1 mt -60.46 -40.81 92.54 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.657 0.598 . . . . 74.530000000000001 111.247 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.35 -30.34 71.39 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.727 0.411 . . . . 62.409999999999997 111.218 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -57.52 3.8 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.885 0.874 . . . . 52.539999999999999 110.7 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.29 -27.75 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.591 0.756 . . . . 73.219999999999999 111.821 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.0 mm? -75.27 -37.96 60.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.146 0.578 . . . . 72.319999999999993 111.752 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -69.75 -35.3 74.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.062 0.545 . . . . 72.420000000000002 112.037 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 -40.05 55.27 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.279 -0.267 . . . . 73.019999999999996 110.279 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.47 -28.26 69.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.348 1.059 . . . . 64.519999999999996 111.378 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HB2' HG13 ' A' ' 78' ' ' VAL . 38.2 ttpt -48.02 -51.17 25.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.439 1.495 . . . . 71.219999999999999 112.034 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.53 -28.89 65.28 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.849 0.86 . . . . 74.450000000000003 112.559 -176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.81 -55.08 10.79 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.827 0.451 . . . . 70.219999999999999 110.379 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 56' ' ' SER . 65.5 mt -61.74 -32.13 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 124.471 1.108 . . . . 51.509999999999998 111.058 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -57.59 -51.61 68.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.729 1.212 . . . . 64.319999999999993 110.923 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 CA--C 1.544 0.727 0 CA-C-N 114.451 -1.25 . . . . 72.129999999999995 110.845 -175.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.452 -0.573 . . . . 74.450000000000003 109.452 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB2' HG23 ' A' ' 48' ' ' ILE . 15.2 m -74.7 120.05 19.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.714 0.806 . . . . 75.420000000000002 110.421 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 42.0 ttm180 -92.28 115.04 27.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.329 1.052 . . . . 70.219999999999999 110.621 -171.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -102.48 143.05 32.69 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.289 0.636 . . . . 73.200000000000003 110.868 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -134.13 120.65 20.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.578 1.151 . . . . 75.120000000000005 109.13 174.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.473 HD11 HD21 ' A' ' 41' ' ' LEU . 47.9 mt -107.93 136.62 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 124.076 0.95 . . . . 75.340000000000003 108.909 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -62.94 117.89 7.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.256 0.55 . . . . 51.520000000000003 111.779 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.45 160.82 17.38 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.569 1.148 . . . . 74.010000000000005 108.469 168.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -116.85 -77.3 0.57 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.852 -0.796 . . . . 64.150000000000006 108.852 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.1 p -84.67 160.25 20.39 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.706 -0.85 . . . . 72.409999999999997 108.706 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.45 -19.5 62.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.343 0.657 . . . . 71.420000000000002 111.303 -177.301 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -44.84 80.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.198 0.599 . . . . 74.030000000000001 110.276 169.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 44.4 mt-10 -68.03 -28.69 67.62 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.474 -0.785 . . . . 73.120000000000005 110.695 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.425 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -67.96 -33.56 74.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.241 -0.891 . . . . 72.420000000000002 111.154 175.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 42.3 mt-10 -70.17 -49.77 47.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 73.010000000000005 111.394 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 21.8 pttp -69.09 -30.59 68.93 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 116.346 -0.388 . . . . 73.109999999999999 112.043 -175.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.0 m-30 -89.01 -19.72 25.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.215 0.45 . . . . 74.329999999999998 112.215 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -62.75 -42.96 99.92 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.951 -0.759 . . . . 55.530000000000001 108.951 166.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -58.45 -41.64 85.59 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.652 -0.704 . . . . 74.430000000000007 111.333 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 37' ' ' LEU . 68.4 mt -58.74 -38.71 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.123 0.969 . . . . 64.329999999999998 111.318 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 79' ' ' TYR . 24.3 mt -66.42 -55.36 16.1 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.42 -0.809 . . . . 52.299999999999997 111.512 175.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 89' ' ' VAL . 1.6 mp -59.32 -33.64 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 C-N-CA 123.96 0.904 . . . . 61.140000000000001 112.292 -170.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 56.1 mtpt -57.9 -37.01 73.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.23 0.612 . . . . 72.209999999999994 111.462 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 41' ' ' LEU . 70.0 t -74.74 -49.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.544 1.138 . . . . 74.25 111.139 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' HD1' HD12 ' A' ' 82' ' ' LEU . 23.6 m-85 -77.12 -16.91 59.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.36 0.664 . . . . 74.349999999999994 112.221 -171.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.79 94.94 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.614 0.571 . . . . 74.25 109.946 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.66 -34.69 58.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.069 0.948 . . . . 65.239999999999995 111.508 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.428 HD12 ' HD1' ' A' ' 79' ' ' TYR . 52.4 mt -76.06 -14.74 60.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.345 0.658 . . . . 63.149999999999999 112.581 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.886 0 CA-C-N 116.343 -0.39 . . . . 71.040000000000006 112.262 176.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.541 HG21 HG13 ' A' ' 76' ' ' ILE . 33.6 mm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.745 0.307 . . . . 65.129999999999995 110.765 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -115.41 111.15 20.39 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.181 -1.044 . . . . 60.409999999999997 108.181 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 76' ' ' ILE . 7.9 t -101.08 133.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.015 -0.735 . . . . 61.329999999999998 109.015 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 p -133.57 125.54 29.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.901 0.88 . . . . 54.149999999999999 109.222 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -97.9 102.94 14.82 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.392 0.677 . . . . 73.099999999999994 109.343 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.8 t70 -70.03 -38.3 75.82 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.542 0.737 . . . . 63.109999999999999 110.348 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.25 -55.6 0.55 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 110.695 -0.962 . . . . 61.32 110.695 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.02 -18.56 39.35 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.212 0.605 . . . . 64.430000000000007 110.394 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 6.1 p -144.34 153.97 42.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.224 1.01 . . . . 73.109999999999999 111.264 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.425 HG11 ' O ' ' A' ' 68' ' ' ALA . 13.4 m -106.36 125.82 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.786 0.834 . . . . 62.310000000000002 109.286 166.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.3 m -117.73 132.07 56.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.031 0.933 . . . . 75.099999999999994 110.06 -172.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.6 t -128.27 117.3 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.296 0.639 . . . . 73.450000000000003 109.684 173.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 107.99 -1.115 . . . . 74.25 107.99 171.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.635 0.731 . . . . 73.310000000000002 111.123 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 96.4 mt -106.89 121.89 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.299 1.44 . . . . 74.030000000000001 110.338 -169.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -93.57 126.94 39.01 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.657 0.383 . . . . 54.119999999999997 110.028 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.64 114.93 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.257 1.023 . . . . 64.120000000000005 108.686 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -113.47 140.78 47.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.244 1.018 . . . . 75.400000000000006 109.05 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 27.1 t-20 -138.18 147.84 44.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.363 0.665 . . . . 65.109999999999999 109.682 173.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -131.71 110.79 11.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.643 0.777 . . . . 65.019999999999996 110.203 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' A' ' 48' ' ' ILE . 90.0 m-20 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 107.593 -1.262 . . . . 62.130000000000003 107.593 167.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.644 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 97.1 m-85 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 110.237 -0.283 . . . . 74.319999999999993 110.237 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.5 m -86.27 134.85 33.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.325 0.65 . . . . 72.239999999999995 110.872 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -133.04 159.13 40.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.71 1.204 . . . . 73.340000000000003 108.854 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -124.92 112.02 16.13 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.769 -0.826 . . . . 74.420000000000002 108.769 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG11 ' HA ' ' A' ' 37' ' ' LEU . 33.1 m -114.46 126.02 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.968 -0.752 . . . . 74.129999999999995 108.968 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -89.74 -17.92 27.36 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.338 0.59 . . . . 73.120000000000005 109.873 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -139.02 152.48 47.65 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.987 0.915 . . . . 71.409999999999997 109.994 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.41 -22.14 66.86 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.289 1.036 . . . . 74.040000000000006 112.85 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -64.28 -37.64 88.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.058 0.543 . . . . 70.219999999999999 110.469 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 22.6 mm-40 -73.18 -38.46 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.841 0.857 . . . . 74.25 110.042 178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HA ' HG11 ' A' ' 31' ' ' VAL . 8.9 tp -55.94 -42.49 76.26 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.654 1.182 . . . . 64.349999999999994 112.4 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -62.96 -26.77 68.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.447 -0.797 . . . . 71.310000000000002 111.434 -174.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.65 -48.04 23.81 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.254 0.621 . . . . 50.200000000000003 109.94 174.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 16.1 m -67.98 -26.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-O 118.858 -0.591 . . . . 73.239999999999995 112.165 -172.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.533 ' HG ' HG22 ' A' ' 74' ' ' ILE . 3.8 mm? -80.07 -40.05 28.44 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.46 0.573 . . . . 72.430000000000007 112.259 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -63.96 -43.97 94.19 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.648 0.592 . . . . 75.439999999999998 109.527 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.36 -40.04 70.9 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.125 -0.488 . . . . 71.439999999999998 110.705 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 35.3 tp -63.44 -29.62 70.87 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.464 0.705 . . . . 75.120000000000005 110.668 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -54.45 -39.99 67.96 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.915 0.886 . . . . 73.109999999999999 110.838 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.07 -41.63 70.45 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.662 0.785 . . . . 62.030000000000001 111.068 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -58.84 -42.33 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.325 0.65 . . . . 73.420000000000002 111.941 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.64 ' HA ' HD21 ' A' ' 18' ' ' ASN . 69.0 mt -74.46 -45.63 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.64 0.776 . . . . 73.140000000000001 110.681 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.34 -37.93 71.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.751 0.82 . . . . 74.510000000000005 111.373 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.476 0.86 0 O-C-N 123.462 0.476 . . . . 65.109999999999999 110.317 -179.195 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 120.682 0.277 . . . . 61.009999999999998 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.481 ' HB3' ' HE1' ' A' ' 79' ' ' TYR . 35.2 t -139.29 117.1 11.57 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.975 0.91 . . . . 62.229999999999997 108.718 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -114.2 108.93 17.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.498 0.719 . . . . 60.43 109.801 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m -103.38 121.13 42.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.476 0.711 . . . . 73.409999999999997 109.713 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -119.84 130.34 54.84 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 109.189 -0.671 . . . . 61.43 109.189 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.521 HG21 ' CD2' ' A' ' 71' ' ' PHE . 22.4 mt -126.65 139.88 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.156 0.982 . . . . 70.140000000000001 110.692 -171.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 47.2 m -66.55 105.55 1.54 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.915 0.886 . . . . 70.439999999999998 111.146 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.08 128.36 46.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.805 0.842 . . . . 71.030000000000001 109.825 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 29.9 mmt180 -80.08 -35.7 36.61 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.752 -0.592 . . . . 71.340000000000003 111.067 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -131.55 178.73 6.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.372 1.069 . . . . 65.340000000000003 108.913 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -74.14 -20.77 60.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.225 0.21 . . . . 73.099999999999994 110.527 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -72.0 -29.14 63.91 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.189 0.596 . . . . 74.349999999999994 109.854 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 5.5 mm-40 -75.31 -43.27 51.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.03 -0.73 . . . . 64.340000000000003 109.03 171.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -57.43 -41.16 79.89 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.427 -0.806 . . . . 60.049999999999997 112.154 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.74 -43.25 63.17 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.504 0.321 . . . . 70.439999999999998 111.837 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 62.9 pttt -74.33 -43.29 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 119.499 -0.286 . . . . 75.340000000000003 110.517 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 39.4 m-85 -64.41 -35.91 82.45 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.489 0.493 . . . . 75.510000000000005 110.392 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.618 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -56.51 -47.65 78.89 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.828 0.705 . . . . 75.310000000000002 110.938 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.17 98.94 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.226 0.954 . . . . 63.530000000000001 110.87 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.533 HG22 ' HG ' ' A' ' 41' ' ' LEU . 88.8 mt -60.24 -25.38 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.049 0.939 . . . . 61.210000000000001 110.93 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 58.5 mt -81.35 -42.46 20.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.047 0.539 . . . . 74.439999999999998 110.284 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.76 -35.51 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 124.861 1.265 . . . . 61.32 111.284 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -60.77 -46.2 91.42 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 63.25 110.683 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 41' ' ' LEU . 61.9 t -60.72 -52.53 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.897 0.879 . . . . 75.099999999999994 110.717 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.481 ' HE1' ' HB3' ' A' ' 56' ' ' SER . 72.9 m-85 -69.68 -24.25 63.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.187 0.595 . . . . 74.120000000000005 112.345 -177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.92 89.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.865 0.466 . . . . 74.109999999999999 110.428 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -36.34 83.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.397 -0.82 . . . . 70.200000000000003 110.716 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 85.0 mt -71.39 -23.91 61.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.595 0.758 . . . . 61.329999999999998 112.137 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.441 0 C-N-CA 121.277 -0.487 . . . . 62.509999999999998 113.902 177.025 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.129 -0.693 . . . . 72.530000000000001 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.24 123.93 33.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.53 -0.915 . . . . 60.329999999999998 108.53 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.81 141.76 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.426 0.69 . . . . 74.140000000000001 109.539 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -144.75 139.29 27.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.533 1.133 . . . . 75.450000000000003 108.422 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.45 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 17.8 m-90 -110.86 100.84 9.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.652 -0.87 . . . . 74.310000000000002 108.652 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.7 t70 -61.09 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.771 0.828 . . . . 75.140000000000001 110.826 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.44 -84.9 0.17 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.594 -1.002 . . . . 72.319999999999993 110.594 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.68 0.27 44.06 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.505 0.722 . . . . 75.140000000000001 110.627 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 7.0 m -140.33 143.04 35.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.081 0.952 . . . . 73.450000000000003 108.476 171.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.6 p -111.66 145.43 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.014 -0.736 . . . . 61.329999999999998 109.014 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.2 m -130.33 132.16 45.71 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.448 0.699 . . . . 72.040000000000006 110.022 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.6 t -126.0 132.28 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.501 1.12 . . . . 74.439999999999998 108.715 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 124.455 1.102 . . . . 72.239999999999995 109.178 179.805 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 121.066 0.46 . . . . 74.409999999999997 111.247 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.466 HG21 HD22 ' A' ' 37' ' ' LEU . 76.0 mt -80.33 103.67 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 114.943 -1.026 . . . . 62.509999999999998 109.097 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' H ' ' HB ' ' A' ' 61' ' ' THR . 7.4 tp-100 -89.71 120.83 31.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.069 0.948 . . . . 74.099999999999994 109.188 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.05 114.13 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 106.601 -1.629 . . . . 71.120000000000005 106.601 -174.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 28' ' ' THR . 51.7 mt-30 -123.25 105.14 9.61 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.59 -0.522 . . . . 74.420000000000002 109.59 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' HB2' HD11 ' A' ' 44' ' ' LEU . 27.4 t-20 -103.98 130.41 51.63 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.394 -0.965 . . . . 75.540000000000006 108.394 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 56' ' ' SER . 3.1 t-20 -101.14 110.06 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.929 -1.137 . . . . 74.329999999999998 107.929 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.239 0.52 0 N-CA-C 106.651 -1.611 . . . . 62.439999999999998 106.651 178.305 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.645 0.736 . . . . 72.329999999999998 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 15' ' ' GLN . 5.4 p -94.9 134.95 37.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.825 -1.08 . . . . 65.299999999999997 111.189 177.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.61 156.26 49.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.656 1.182 . . . . 71.310000000000002 108.923 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.5 m -129.27 109.38 11.07 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.53 -0.915 . . . . 72.230000000000004 108.53 172.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 14.9 m -113.78 146.94 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.383 0.673 . . . . 70.310000000000002 109.807 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 t -101.68 -19.38 15.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.111 0.565 . . . . 62.43 110.666 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.51 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.0 m -118.42 143.27 46.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.881 0.873 . . . . 51.439999999999998 109.203 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.06 -27.74 67.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.677 0.791 . . . . 64.120000000000005 112.215 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -64.97 -41.59 95.3 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.663 0.385 . . . . 75.140000000000001 110.919 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.3 mt-10 -63.13 -33.26 75.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.078 0.551 . . . . 64.340000000000003 110.55 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.49 HD11 HD13 ' A' ' 60' ' ' ILE . 55.0 tp -60.8 -41.33 95.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.545 0.738 . . . . 71.25 110.809 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -70.6 -32.18 69.44 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.661 -0.699 . . . . 73.200000000000003 111.124 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -70.87 -43.03 69.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.422 0.689 . . . . 71.230000000000004 111.178 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.9 m -74.3 -26.6 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 119.67 -0.205 . . . . 72.299999999999997 111.084 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mm? -74.66 -34.75 62.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.467 0.707 . . . . 72.420000000000002 111.037 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 18.6 t30 -55.68 -51.35 67.58 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.27 1.028 . . . . 73.099999999999994 110.578 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.16 -33.47 59.37 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.014 0.526 . . . . 44.32 111.612 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 16' ' ' ASN . 9.5 tt -58.49 -33.75 70.14 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.467 1.107 . . . . 75.510000000000005 111.38 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.5 ttpt -54.58 -47.09 73.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.317 1.047 . . . . 74.219999999999999 112.103 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.21 -34.73 79.05 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.958 -1.019 . . . . 72.230000000000004 110.957 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -73.09 -37.19 66.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.3 -0.864 . . . . 72.549999999999997 111.996 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.3 mt -70.05 -43.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.602 -0.518 . . . . 73.409999999999997 109.602 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -65.8 -21.74 66.51 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.019 0.927 . . . . 74.230000000000004 111.77 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? . . . . . 0 N--CA 1.48 1.041 0 C-N-CA 124.277 1.031 . . . . 74.140000000000001 111.788 175.348 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 109.83 -0.433 . . . . 64.219999999999999 109.83 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' ASN . 59.0 p -139.83 111.96 7.58 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.799 0.84 . . . . 73.549999999999997 109.578 176.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -99.34 109.36 21.99 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.608 -0.516 . . . . 74.019999999999996 109.608 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -112.54 132.82 54.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.719 0.408 . . . . 70.219999999999999 110.218 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 4.8 t -134.82 119.99 18.81 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.969 -1.123 . . . . 72.510000000000005 107.969 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.49 HD13 HD11 ' A' ' 37' ' ' LEU . 62.6 mt -115.11 120.22 64.0 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 C-N-CA 124.414 1.085 . . . . 75.310000000000002 109.353 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.478 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 33.0 m -65.36 103.42 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 121.703 0.763 . . . . 73.120000000000005 110.133 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.73 127.5 53.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.194 -1.366 . . . . 32.130000000000003 107.462 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.03 -21.22 65.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.855 0.687 . . . . 74.219999999999999 112.855 -170.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -138.01 167.78 21.08 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.53 0.732 . . . . 73.329999999999998 109.921 173.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.83 -33.09 74.9 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.719 0.807 . . . . 52.149999999999999 111.011 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -68.69 -24.04 64.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.374 0.607 . . . . 74.230000000000004 110.237 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 50.9 mt-10 -83.97 -33.68 24.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 64.450000000000003 110.876 172.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.463 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -67.24 -36.15 81.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.909 -0.587 . . . . 61.530000000000001 111.227 -178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.62 -38.31 73.91 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.324 -0.398 . . . . 74.219999999999999 111.405 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -74.4 -30.31 61.89 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.904 -0.497 . . . . 75.120000000000005 111.165 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -83.69 -16.02 46.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.818 0.447 . . . . 75.209999999999994 111.807 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.21 82.26 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.541 -0.541 . . . . 44.539999999999999 109.541 166.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.37 78.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.136 -0.938 . . . . 51.200000000000003 111.735 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.49 HG22 ' HG ' ' A' ' 41' ' ' LEU . 50.1 mt -57.5 -38.06 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.453 0.701 . . . . 65.140000000000001 111.003 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.0 mt -75.43 -43.85 47.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.5 -0.318 . . . . 71.209999999999994 111.485 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.496 HG12 HG21 ' A' ' 87' ' ' ILE . 60.3 mt -66.11 -40.11 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.203 0.601 . . . . 60.130000000000003 110.915 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -64.55 -35.37 80.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.412 0.685 . . . . 71.519999999999996 111.677 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 41' ' ' LEU . 71.1 t -80.69 -49.89 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.479 0.711 . . . . 45.240000000000002 111.462 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 1.5 m-85 -75.95 -33.17 59.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.04 0.936 . . . . 65.329999999999998 112.385 -168.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -21.5 65.96 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.031 0.207 . . . . 42.240000000000002 111.507 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.23 -37.03 84.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.585 0.754 . . . . 74.5 110.747 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.37 -22.79 47.38 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.172 -0.922 . . . . 73.340000000000003 110.503 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.608 0 CA-C-N 115.387 -0.824 . . . . 74.140000000000001 111.705 179.431 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.496 HG21 HG12 ' A' ' 76' ' ' ILE . 36.9 mm . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 108.861 -0.792 . . . . 74.439999999999998 108.861 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.73 106.53 18.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.154 -1.054 . . . . 73.230000000000004 108.154 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.87 128.67 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.523 0.729 . . . . 72.439999999999998 109.623 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -137.46 155.68 49.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.69 1.196 . . . . 71.129999999999995 107.965 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.463 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 8.5 m-90 -125.94 106.49 9.67 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.31 -0.626 . . . . 71.140000000000001 109.31 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -110.86 91.02 3.5 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.097 0.959 . . . . 72.219999999999999 109.675 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.28 49.28 9.59 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 116.011 -0.541 . . . . 75.340000000000003 113.258 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 65.57 2.66 2.12 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.087 1.355 . . . . 73.450000000000003 113.171 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.2 m -98.9 136.82 38.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.405 1.082 . . . . 63.43 108.307 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' SER . 5.0 p -90.97 112.32 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.428 0.632 . . . . 73.120000000000005 110.352 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -107.31 134.83 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.466 1.106 . . . . 75.109999999999999 109.44 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.18 132.88 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.563 1.145 . . . . 74.349999999999994 107.977 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 123.519 0.728 . . . . 73.409999999999997 109.755 175.323 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.489 -0.56 . . . . 72.109999999999999 109.489 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 14.6 mt -78.65 104.16 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 114.874 -1.057 . . . . 73.439999999999998 110.298 -170.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -93.28 112.46 24.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.095 -0.706 . . . . 74.129999999999995 109.095 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t -91.59 105.62 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.979 -1.489 . . . . 72.129999999999995 106.979 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.88 106.02 16.33 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.634 -0.876 . . . . 73.340000000000003 108.634 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -105.49 112.73 25.94 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.491 -0.929 . . . . 74.140000000000001 108.491 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -103.48 111.35 23.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.381 -1.34 . . . . 72.430000000000007 107.381 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 123.493 0.717 . . . . 71.010000000000005 109.606 -175.237 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.456 -0.572 . . . . 73.040000000000006 109.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 m -120.16 130.2 54.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.15 0.58 . . . . 44.509999999999998 110.315 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -124.02 146.89 48.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.51 1.124 . . . . 65.140000000000001 108.267 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.1 m -132.21 116.12 16.55 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.435 0.562 . . . . 75.329999999999998 109.884 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.54 133.34 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.287 1.035 . . . . 64.230000000000004 109.056 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -87.24 -6.03 58.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.01 0.524 . . . . 61.43 110.988 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 m -128.48 143.35 50.97 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.392 0.677 . . . . 64.349999999999994 110.547 -175.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.42 -45.46 88.4 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.232 1.413 . . . . 63.520000000000003 112.427 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -65.71 -30.78 71.51 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.195 0.998 . . . . 43.100000000000001 112.927 -173.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 17.1 mm-40 -69.22 -37.42 78.03 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.906 0.883 . . . . 75.319999999999993 111.113 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 ' O ' HG22 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -57.45 -39.14 75.66 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.502 -1.226 . . . . 74.400000000000006 112.614 -177.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -65.49 -18.9 65.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.851 -0.613 . . . . 71.230000000000004 111.79 -171.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.81 -42.95 18.97 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.611 0.764 . . . . 64.25 110.421 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 37' ' ' LEU . 3.1 m -65.95 -22.52 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 122.835 0.454 . . . . 72.409999999999997 111.444 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' HB3' HG21 ' A' ' 78' ' ' VAL . 3.8 mm? -71.51 -41.6 69.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.001 0.92 . . . . 63.219999999999999 111.405 175.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.32 -37.46 87.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.22 0.608 . . . . 65.219999999999999 110.056 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.7 -50.1 68.29 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.505 -0.77 . . . . 72.310000000000002 110.136 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.72 -39.62 74.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.7 1.2 . . . . 73.219999999999999 111.514 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -55.93 -54.13 48.5 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.56 1.144 . . . . 73.219999999999999 111.57 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.21 -39.03 82.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.293 0.996 . . . . 72.109999999999999 110.883 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -66.54 -38.56 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.448 0.699 . . . . 70.230000000000004 111.142 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.97 -47.48 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.803 0.841 . . . . 64.200000000000003 110.221 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.62 -26.6 65.43 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.094 0.558 . . . . 55.0 111.778 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 123.824 0.85 . . . . 55.240000000000002 111.143 178.645 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.786 0.327 . . . . 73.319999999999993 110.695 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 m -120.39 119.17 32.28 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.969 0.908 . . . . 65.409999999999997 110.625 -174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HE ' ' HG3' ' A' ' 99' ' ' GLU . 11.6 ttm180 -102.51 109.6 21.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.519 0.728 . . . . 71.540000000000006 110.228 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 m -103.86 129.81 51.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.951 0.5 . . . . 73.510000000000005 109.841 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -127.3 119.1 25.52 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.433 -1.321 . . . . 63.409999999999997 107.433 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 71' ' ' PHE . 37.0 mt -113.32 132.52 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.731 0.812 . . . . 74.120000000000005 110.113 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.0 m -54.7 119.85 5.91 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.359 1.064 . . . . 52.109999999999999 112.422 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.02 146.95 52.56 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.369 -1.345 . . . . 64.109999999999999 107.369 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -100.21 -27.0 13.74 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.549 -0.537 . . . . 74.310000000000002 109.549 173.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.0 p -130.58 160.52 33.93 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 124.745 1.218 . . . . 44.039999999999999 109.079 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 13.8 ptmm? -73.32 -23.2 60.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.627 0.371 . . . . 73.150000000000006 111.86 -174.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.63 -34.88 72.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.833 0.453 . . . . 64.420000000000002 111.209 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.97 93.18 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.5 -0.556 . . . . 64.140000000000001 109.5 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.13 69.86 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.117 -0.947 . . . . 72.510000000000005 111.78 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 58.4 mm-40 -70.28 -53.13 18.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.835 0.454 . . . . 72.430000000000007 111.859 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' NZ ' ' HE1' ' A' ' 71' ' ' PHE . 20.7 pttp -69.69 -32.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.429 0.529 . . . . 63.229999999999997 112.429 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 60' ' ' ILE . 36.3 m-85 -76.34 -28.48 56.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.484 0.314 . . . . 73.120000000000005 111.092 174.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -66.32 -41.27 89.91 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 109.837 -0.431 . . . . 73.239999999999995 109.837 171.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.62 94.85 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.132 0.573 . . . . 74.439999999999998 110.483 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.497 HG22 ' HG ' ' A' ' 41' ' ' LEU . 96.5 mt -62.48 -42.67 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.077 0.951 . . . . 74.430000000000007 110.561 174.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.456 HD13 ' HB ' ' A' ' 98' ' ' VAL . 26.8 mt -63.06 -57.71 9.73 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.88 0.872 . . . . 72.120000000000005 111.588 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.726 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -51.48 -36.74 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.177 1.391 . . . . 65.519999999999996 111.703 -176.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.29 -48.64 79.01 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.477 0.711 . . . . 51.140000000000001 112.094 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' LEU . 58.4 t -64.48 -51.14 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.408 1.083 . . . . 41.350000000000001 110.441 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.469 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 5.3 m-85 -72.91 -16.56 61.56 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.643 -1.617 . . . . 71.450000000000003 111.788 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.58 75.8 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.748 0.819 . . . . 71.430000000000007 110.896 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.73 -27.25 64.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.61 0.764 . . . . 70.540000000000006 110.671 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.8 mt -92.67 -26.72 17.68 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.741 0.816 . . . . 74.409999999999997 111.379 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.191 0 CA-C-O 119.813 -0.437 . . . . 64.329999999999998 114.024 -170.029 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.726 ' HB ' HG13 ' A' ' 76' ' ' ILE . 48.5 mm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.045 -0.354 . . . . 64.510000000000005 110.045 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -88.08 126.16 34.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.936 0.894 . . . . 53.329999999999998 110.161 -167.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.0 p -122.2 137.57 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 124.396 1.079 . . . . 73.120000000000005 109.684 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 m -142.2 152.64 43.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.22 1.008 . . . . 73.0 108.529 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -127.81 128.1 44.68 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.051 0.54 . . . . 73.329999999999998 109.638 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.17 142.71 13.3 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.666 0.787 . . . . 74.25 109.644 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.37 33.75 88.08 Favored Glycine 0 C--N 1.345 1.028 0 O-C-N 123.458 0.474 . . . . 52.32 112.731 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 69.36 2.17 3.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 125.298 1.439 . . . . 73.349999999999994 111.614 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.6 m -116.64 142.44 46.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.535 1.134 . . . . 54.530000000000001 109.705 -165.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -92.6 114.22 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.281 0.562 . . . . 52.020000000000003 110.634 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -108.2 104.75 14.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.108 0.963 . . . . 75.099999999999994 110.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.456 ' HB ' HD13 ' A' ' 75' ' ' LEU . 38.7 t -99.8 123.03 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.16 0.984 . . . . 73.109999999999999 109.447 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' HG3' ' HE ' ' A' ' 57' ' ' ARG . 1.1 tm-20 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.7 -0.852 . . . . 64.400000000000006 108.7 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.269 0.557 . . . . 74.310000000000002 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' A' ' 31' ' ' VAL . 37.7 mt -97.62 101.42 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 108.276 -1.009 . . . . 65.340000000000003 108.276 174.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -101.04 117.31 34.77 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.339 0.655 . . . . 72.430000000000007 109.429 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG22 HG12 ' A' ' 60' ' ' ILE . 67.7 t -92.94 106.82 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.917 1.287 . . . . 52.130000000000003 108.536 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' HA ' HG23 ' A' ' 28' ' ' THR . 96.4 mt-30 -99.0 106.02 18.23 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.855 -0.795 . . . . 64.510000000000005 108.855 174.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.63 143.05 36.64 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.886 -0.783 . . . . 73.439999999999998 108.886 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -138.68 139.64 38.52 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.806 -1.183 . . . . 65.239999999999995 107.806 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 123.603 0.761 . . . . 64.239999999999995 109.731 -176.38 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.189 0.518 . . . . 52.439999999999998 110.568 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.478 HG23 ' HA ' ' A' ' 15' ' ' GLN . 98.9 m -86.11 119.01 25.93 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.059 -0.519 . . . . 73.420000000000002 109.994 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.09 161.53 27.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.735 1.214 . . . . 65.099999999999994 109.566 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -131.16 119.4 21.83 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.364 -0.606 . . . . 75.420000000000002 109.364 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 27.1 m -108.89 150.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.172 0.989 . . . . 64.049999999999997 109.073 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 t -94.86 -11.77 28.17 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.355 0.502 . . . . 71.209999999999994 112.355 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.608 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 37.6 m -145.34 155.21 43.05 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.236 0.614 . . . . 75.140000000000001 110.805 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.28 -37.79 78.54 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.798 1.239 . . . . 74.409999999999997 112.034 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -56.33 -48.63 76.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.686 0.794 . . . . 73.299999999999997 110.598 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 8.3 mm-40 -67.4 -25.54 65.99 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.217 -0.901 . . . . 62.329999999999998 110.909 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HA ' HG12 ' A' ' 40' ' ' VAL . 39.1 tp -70.15 -41.89 73.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.419 0.688 . . . . 63.020000000000003 111.023 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -63.51 -32.75 74.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.763 -0.653 . . . . 71.530000000000001 110.566 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.42 -48.64 39.67 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.594 -0.73 . . . . 74.510000000000005 110.697 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.3 p -68.45 -35.08 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 119.531 -0.271 . . . . 73.099999999999994 111.319 -173.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 78' ' ' VAL . 3.6 mm? -72.92 -30.97 64.31 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.909 0.484 . . . . 71.430000000000007 111.547 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.98 -48.83 80.0 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.419 0.688 . . . . 71.439999999999998 110.171 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.14 -30.01 54.89 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.127 -0.488 . . . . 75.099999999999994 111.104 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 41' ' ' LEU . 26.4 tp -62.0 -33.96 75.31 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.625 0.77 . . . . 75.540000000000006 111.141 -175.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.97 -37.33 61.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.377 1.071 . . . . 71.310000000000002 111.755 174.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.74 -44.33 77.81 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.124 0.97 . . . . 75.209999999999994 110.76 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -67.39 -41.16 85.45 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.444 0.698 . . . . 73.209999999999994 111.89 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.41 -21.94 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.017 0.527 . . . . 72.329999999999998 110.184 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -70.59 -41.89 71.73 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.321 0.582 . . . . 72.430000000000007 109.857 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 CA--C 1.544 0.736 0 CA-C-N 114.636 -1.166 . . . . 61.439999999999998 110.711 -179.657 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.392 -0.966 . . . . 55.210000000000001 108.392 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -137.71 116.26 12.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.208 0.603 . . . . 61.530000000000001 109.952 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.28 142.75 27.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.704 0.801 . . . . 70.200000000000003 109.895 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.9 m -140.03 120.47 14.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.589 0.756 . . . . 73.349999999999994 109.052 168.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -116.15 130.69 56.92 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.056 0.942 . . . . 64.319999999999993 110.057 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.43 HG12 HG22 ' A' ' 14' ' ' VAL . 21.6 mt -114.06 132.5 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.248 0.619 . . . . 70.430000000000007 109.776 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 m -64.69 106.64 1.23 Allowed 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.856 0.863 . . . . 61.530000000000001 110.834 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . . . -102.3 86.7 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.662 -1.154 . . . . 74.230000000000004 109.818 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' HD3' ' H ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -63.68 -25.27 68.14 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.056 -0.52 . . . . 63.039999999999999 110.782 -175.203 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 p -128.41 162.18 27.74 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 124.471 1.108 . . . . 55.299999999999997 108.658 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -62.04 -23.25 66.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.21 0.604 . . . . 72.340000000000003 110.754 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -50.92 71.54 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.135 0.974 . . . . 75.200000000000003 109.448 176.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.542 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 12.2 mm-40 -60.07 -42.93 95.59 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.393 1.058 . . . . 71.420000000000002 109.938 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -56.31 -44.59 80.07 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.793 0.837 . . . . 74.129999999999995 112.456 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -72.94 -53.42 11.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.153 0.581 . . . . 63.439999999999998 112.109 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 56.4 pttt -72.18 -30.4 64.94 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.381 -0.372 . . . . 62.329999999999998 111.994 -172.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.6 m-30 -86.13 -17.88 33.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.494 0.318 . . . . 72.040000000000006 111.837 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 89' ' ' VAL . . . -60.47 -44.16 96.19 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.08 -0.711 . . . . 73.400000000000006 109.08 167.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.52 70.44 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.484 -0.78 . . . . 71.439999999999998 112.004 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.46 -50.34 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.408 0.683 . . . . 75.230000000000004 110.534 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.41 -39.15 91.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.616 0.767 . . . . 75.349999999999994 112.302 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -63.47 -38.67 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.494 0.717 . . . . 70.140000000000001 109.934 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -65.28 -46.67 79.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.556 0.742 . . . . 71.5 111.099 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 41' ' ' LEU . 54.7 t -65.87 -48.86 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.894 0.878 . . . . 64.010000000000005 110.973 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -70.68 -21.25 62.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.524 0.564 . . . . 71.530000000000001 112.524 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -33.86 72.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.848 0.459 . . . . 73.340000000000003 110.503 176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.24 -11.37 60.26 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 63.509999999999998 111.636 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.94 -25.91 13.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.26 1.024 . . . . 52.539999999999999 110.266 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.082 0 N-CA-C 110.635 -0.986 . . . . 72.430000000000007 110.635 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.592 ' HB ' HG13 ' A' ' 76' ' ' ILE . 38.9 mm . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.363 -0.236 . . . . 71.230000000000004 110.363 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -87.38 132.7 33.88 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.995 0.518 . . . . 73.420000000000002 110.039 -175.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.593 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.2 p -133.31 143.33 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.159 0.984 . . . . 73.040000000000006 109.416 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -147.02 148.06 31.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.683 1.193 . . . . 51.109999999999999 108.231 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.527 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 30.5 m-90 -119.48 117.18 27.75 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.952 0.501 . . . . 74.540000000000006 109.862 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.13 -47.18 74.96 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.435 0.635 . . . . 74.109999999999999 109.974 172.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.21 -70.39 0.31 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.691 -1.364 . . . . 72.129999999999995 109.691 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.78 2.67 55.85 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.079 0.552 . . . . 63.299999999999997 110.951 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 m -144.44 148.78 35.02 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 109.248 -0.649 . . . . 61.25 109.248 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.6 p -113.48 126.62 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.994 0.917 . . . . 61.310000000000002 109.431 172.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.6 m -108.26 137.02 46.95 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 61.409999999999997 110.136 176.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.62 114.19 24.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.783 -1.192 . . . . 72.239999999999995 107.783 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 123.24 0.616 . . . . 74.349999999999994 109.773 -173.289 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 121.511 0.672 . . . . 71.299999999999997 111.322 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.425 ' HB ' HG23 ' A' ' 31' ' ' VAL . 46.2 mt -101.94 102.97 14.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.092 -1.077 . . . . 74.439999999999998 108.092 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -87.69 119.43 28.0 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.048 -0.723 . . . . 75.120000000000005 109.048 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.49 123.68 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.122 0.969 . . . . 54.210000000000001 109.479 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -127.38 120.97 29.7 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.242 -1.022 . . . . 71.120000000000005 108.242 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.6 t-20 -103.58 123.5 47.07 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.652 -0.87 . . . . 73.510000000000005 108.652 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.633 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 6.5 m-20 -117.86 109.66 16.82 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 108.653 -0.869 . . . . 73.519999999999996 108.653 173.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 105.485 -2.042 . . . . 75.239999999999995 105.485 171.015 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.4 m-85 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.514 0.673 . . . . 71.129999999999995 111.468 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -102.43 129.59 48.96 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.857 -1.065 . . . . 44.130000000000003 110.273 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -128.24 147.13 50.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.472 1.109 . . . . 72.219999999999999 108.465 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.1 m -129.75 104.62 7.52 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.65 -1.241 . . . . 73.019999999999996 107.65 172.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 12' ' ' ILE . 35.9 m -113.64 128.92 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.645 0.778 . . . . 73.430000000000007 109.493 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -93.89 -12.14 29.53 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.208 0.603 . . . . 60.340000000000003 110.484 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.716 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 90.5 m -128.0 138.68 52.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.782 0.833 . . . . 75.209999999999994 109.429 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 44.7 mt-10 -65.62 -29.94 70.58 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.203 1.001 . . . . 70.530000000000001 111.755 -176.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 m -60.08 -40.13 88.5 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.32 0.648 . . . . 63.530000000000001 110.98 175.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.716 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 3.7 mm-40 -68.91 -33.32 73.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.348 0.659 . . . . 75.430000000000007 110.063 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 40' ' ' VAL . 51.5 tp -63.05 -40.01 96.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.721 0.808 . . . . 64.5 110.948 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.22 -36.42 84.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.497 0.719 . . . . 61.140000000000001 110.876 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -65.73 -53.06 45.88 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.607 0.763 . . . . 74.239999999999995 110.582 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 37' ' ' LEU . 21.2 m -67.51 -27.15 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 123.818 0.698 . . . . 62.140000000000001 111.758 -172.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.4 mm? -74.78 -36.77 62.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.512 0.725 . . . . 53.43 111.317 176.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -70.1 -38.44 75.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.076 0.55 . . . . 71.019999999999996 110.735 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.49 -36.61 44.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.917 0.487 . . . . 75.439999999999998 110.632 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 16' ' ' ASN . 42.7 tp -59.91 -36.34 76.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.874 0.87 . . . . 70.340000000000003 110.868 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.5 ttpt -45.05 -49.81 11.26 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.808 1.643 . . . . 71.209999999999994 111.815 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.29 -38.42 89.3 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.951 0.782 . . . . 73.109999999999999 111.543 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.91 -39.66 55.82 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.999 0.92 . . . . 73.010000000000005 112.033 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.47 -41.79 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.519 0.676 . . . . 73.349999999999994 109.238 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HB2' HD22 ' A' ' 82' ' ' LEU . 70.6 tttt -67.82 -39.7 83.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.209 -1.36 . . . . 73.439999999999998 110.714 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 N--CA 1.474 0.745 0 CA-C-N 115.005 -0.998 . . . . 72.209999999999994 111.199 -174.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' HD3' ' H ' ' A' ' 56' ' ' SER . 5.7 tpp180 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.109 -0.7 . . . . 70.519999999999996 109.109 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 99' ' ' GLU . 24.6 p -114.91 118.9 34.79 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.679 1.192 . . . . 61.43 108.868 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.633 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 30.8 ttm180 -150.3 110.31 4.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.593 -0.521 . . . . 74.420000000000002 109.593 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 97' ' ' THR . 96.0 m -135.15 121.37 20.18 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 109.193 -0.669 . . . . 71.310000000000002 109.193 173.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m -95.21 120.89 36.21 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.868 1.355 . . . . 64.25 109.172 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.39 126.15 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 123.544 0.737 . . . . 73.010000000000005 109.136 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 53.0 m -67.82 114.68 6.6 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 120.897 0.379 . . . . 34.240000000000002 110.436 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.16 107.63 18.34 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.268 1.027 . . . . 61.210000000000001 108.347 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.21 -27.14 68.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.972 0.509 . . . . 75.340000000000003 111.062 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -132.55 163.48 28.75 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.205 1.002 . . . . 32.020000000000003 109.376 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.1 ptpp? -67.3 -21.18 65.69 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.671 0.388 . . . . 73.209999999999994 110.958 174.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HD2' ' HG3' ' A' ' 65' ' ' LYS . 4.2 mptp? -65.89 -39.93 91.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.106 0.962 . . . . 74.310000000000002 109.785 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.8 mt-10 -68.97 -37.36 78.74 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.51 -1.223 . . . . 62.109999999999999 110.874 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.07 71.07 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.788 0.68 . . . . 74.150000000000006 111.997 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 35.2 mm-40 -79.36 -49.84 11.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.947 0.499 . . . . 64.219999999999999 111.973 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -69.23 -29.1 66.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.449 -0.341 . . . . 73.209999999999994 110.861 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.1 m-30 -88.92 -19.38 25.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.943 0.497 . . . . 71.340000000000003 111.791 177.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.47 -45.97 91.78 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.037 -1.097 . . . . 63.509999999999998 108.037 167.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -57.44 -44.0 84.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 124.279 0.987 . . . . 71.209999999999994 111.2 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.46 -52.18 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.347 0.659 . . . . 55.310000000000002 110.781 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.9 -49.93 75.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.929 0.891 . . . . 72.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.499 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -54.78 -41.26 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.85 0.86 . . . . 64.120000000000005 110.854 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.5 mtpt -68.4 -42.23 79.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.455 0.702 . . . . 64.040000000000006 111.895 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 41' ' ' LEU . 72.5 t -65.75 -45.93 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.281 0.632 . . . . 75.340000000000003 110.651 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CD1' HD12 ' A' ' 82' ' ' LEU . 55.2 m-85 -73.39 -18.23 61.18 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.733 -0.667 . . . . 71.349999999999994 112.138 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.25 77.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.077 0.551 . . . . 64.349999999999994 110.756 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -78.48 -19.03 53.95 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.495 0.718 . . . . 64.120000000000005 111.142 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 49' ' ' LYS . 76.8 mt -91.31 -23.09 20.23 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.756 0.822 . . . . 73.109999999999999 111.414 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.65 0 O-C-N 123.305 0.378 . . . . 61.130000000000003 112.314 177.589 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.499 ' HB ' HG13 ' A' ' 76' ' ' ILE . 11.9 mm . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 110.495 -0.187 . . . . 73.329999999999998 110.495 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.412 ' O ' HG13 ' A' ' 98' ' ' VAL . 46.4 t30 -89.15 145.34 25.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.931 0.492 . . . . 75.219999999999999 109.683 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.2 p -132.6 121.88 46.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.631 0.772 . . . . 62.329999999999998 109.014 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -130.44 132.44 45.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.966 0.906 . . . . 51.039999999999999 109.351 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -101.21 113.11 25.85 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.188 -1.041 . . . . 61.520000000000003 108.188 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.48 -36.76 60.56 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.885 0.874 . . . . 60.43 110.749 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.28 101.98 2.37 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 108.838 -1.705 . . . . 74.439999999999998 108.838 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 72.45 2.67 4.43 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.574 1.55 . . . . 63.549999999999997 112.171 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -145.36 148.93 33.92 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.414 1.086 . . . . 72.200000000000003 108.225 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.9 109.24 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 108.663 -0.866 . . . . 63.109999999999999 108.663 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' THR . 96.9 m -100.77 126.09 47.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.341 0.656 . . . . 73.310000000000002 110.255 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 57' ' ' ARG . 14.3 t -92.17 121.08 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 107.143 -1.429 . . . . 74.219999999999999 107.143 165.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 56' ' ' SER . 3.6 tm-20 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.224 -0.658 . . . . 65.129999999999995 109.224 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.907 0.706 . . . . 72.25 112.907 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mt -95.72 105.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.279 -0.873 . . . . 73.400000000000006 109.218 -175.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -86.34 137.93 32.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.418 -0.586 . . . . 73.340000000000003 109.418 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 28' ' ' THR . 63.5 t -118.35 107.23 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.684 -1.228 . . . . 74.230000000000004 107.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.485 ' HG2' HG23 ' A' ' 28' ' ' THR . 45.0 mt-30 -106.36 107.32 18.27 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.914 -0.402 . . . . 75.319999999999993 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.5 t-20 -105.4 139.28 40.26 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.458 -0.571 . . . . 63.310000000000002 109.458 173.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -114.85 108.76 17.17 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.071 -1.455 . . . . 72.510000000000005 107.071 172.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.876 -0.786 . . . . 75.540000000000006 108.876 179.058 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.479 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 121.02 0.438 . . . . 74.420000000000002 110.432 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 15' ' ' GLN . 87.7 m -93.05 118.75 31.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.948 0.899 . . . . 72.329999999999998 109.449 170.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.2 130.12 38.67 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.159 0.984 . . . . 73.439999999999998 108.738 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.8 m -97.43 109.56 22.29 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.87 -0.789 . . . . 52.399999999999999 108.87 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 30.8 m -101.01 133.99 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.793 0.837 . . . . 74.439999999999998 109.468 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.8 t -88.35 -14.0 39.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.438 0.532 . . . . 75.120000000000005 112.438 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.6 m -142.63 155.76 44.99 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.47 0.708 . . . . 72.239999999999995 109.792 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.3 -30.57 71.68 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.69 1.196 . . . . 50.310000000000002 112.047 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 p -59.6 -49.53 77.4 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.781 0.675 . . . . 74.349999999999994 109.524 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.2 mm-40 -58.51 -32.94 69.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.324 1.05 . . . . 64.319999999999993 111.497 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HA ' HG12 ' A' ' 40' ' ' VAL . 5.9 tt -74.49 -40.99 61.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.015 0.526 . . . . 74.209999999999994 110.929 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -58.19 -42.23 85.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.343 0.657 . . . . 74.409999999999997 110.374 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.95 -52.97 57.26 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.019 -0.991 . . . . 74.140000000000001 110.856 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 37' ' ' LEU . 4.8 p -68.73 -30.52 47.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 123.435 0.459 . . . . 61.420000000000002 111.686 -172.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 78' ' ' VAL . 1.6 mm? -73.28 -39.72 65.15 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.039 0.535 . . . . 72.25 111.37 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.63 -35.57 80.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.563 -0.744 . . . . 71.239999999999995 110.966 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.54 -39.61 18.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.469 0.308 . . . . 73.010000000000005 111.789 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.2 -29.43 70.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.409 0.684 . . . . 72.099999999999994 110.349 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' HD21 ' A' ' 82' ' ' LEU . 39.3 ttpt -43.28 -45.58 5.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.67 1.588 . . . . 63.049999999999997 111.727 170.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.92 -45.3 64.48 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.619 -1.173 . . . . 70.439999999999998 111.574 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.83 -39.89 93.4 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.568 0.747 . . . . 75.209999999999994 111.542 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -66.09 -48.63 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.915 0.886 . . . . 75.450000000000003 110.145 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.633 ' HB2' HD22 ' A' ' 82' ' ' LEU . 58.9 tttp -75.26 -22.51 57.76 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.35 0.5 . . . . 61.299999999999997 112.35 -177.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.98 0.895 . . . . 61.549999999999997 109.805 175.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.925 -0.398 . . . . 73.200000000000003 109.925 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.9 m -100.98 149.13 24.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.593 0.757 . . . . 54.130000000000003 111.474 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -105.39 150.21 25.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.392 1.077 . . . . 75.019999999999996 109.725 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.3 m -140.18 131.42 26.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.883 0.473 . . . . 74.510000000000005 110.042 165.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 t -117.25 119.89 36.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.785 -1.191 . . . . 53.149999999999999 107.785 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.469 HD13 HD11 ' A' ' 37' ' ' LEU . 41.8 mt -111.68 140.68 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.737 0.815 . . . . 65.239999999999995 109.713 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -58.06 105.89 0.32 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.829 1.251 . . . . 60.130000000000003 112.225 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.67 100.93 12.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.174 0.99 . . . . 61.299999999999997 110.016 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.547 ' HB2' ' HG3' ' A' ' 67' ' ' GLU . 39.5 mmt180 -70.45 -36.78 74.14 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.428 -0.806 . . . . 63.240000000000002 110.535 177.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.5 p -135.3 176.92 8.23 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.625 1.17 . . . . 61.43 109.085 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.475 0.484 . . . . 65.219999999999999 110.202 169.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.89 -45.19 95.58 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.808 0.843 . . . . 62.43 111.022 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 28.8 mm-40 -62.34 -43.17 99.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.369 0.604 . . . . 74.540000000000006 110.337 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -60.27 -48.96 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.918 -1.492 . . . . 71.319999999999993 112.188 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.47 -31.24 33.07 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.019 0.527 . . . . 62.539999999999999 111.933 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 58.9 pttt -73.18 -36.07 66.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.655 0.264 . . . . 72.140000000000001 110.354 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' A' ' 74' ' ' ILE . 19.3 m-30 -88.99 -18.34 27.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.99 0.516 . . . . 74.530000000000001 111.783 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.464 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -62.88 -40.98 99.16 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 108.66 -0.867 . . . . 71.549999999999997 108.66 166.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.93 88.09 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.636 -0.711 . . . . 41.149999999999999 111.205 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' A' ' 71' ' ' PHE . 58.0 mt -62.87 -62.83 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.267 0.627 . . . . 73.109999999999999 110.018 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 41' ' ' LEU . 97.8 mt -53.57 -40.4 65.57 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.581 1.152 . . . . 72.200000000000003 113.131 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.763 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -62.04 -48.15 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.168 0.587 . . . . 73.340000000000003 110.413 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -71.04 -35.48 71.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.263 0.625 . . . . 72.030000000000001 112.146 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG21 HD12 ' A' ' 41' ' ' LEU . 76.7 t -63.92 -49.84 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.661 0.784 . . . . 74.230000000000004 109.885 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -82.79 -17.95 42.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.213 -0.903 . . . . 64.439999999999998 111.952 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.16 80.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.609 0.764 . . . . 74.109999999999999 110.631 172.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.08 -33.09 65.41 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.82 -1.082 . . . . 64.439999999999998 110.37 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.633 HD22 ' HB2' ' A' ' 49' ' ' LYS . 31.5 mt -73.59 -26.81 60.98 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.895 -0.593 . . . . 71.209999999999994 112.122 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.642 0 N-CA-C 111.313 -0.715 . . . . 54.140000000000001 111.313 -178.338 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.941 -0.392 . . . . 64.219999999999999 109.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -85.97 112.28 21.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.117 0.567 . . . . 73.219999999999999 109.644 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.763 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.3 p -107.53 130.46 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.317 0.647 . . . . 75.439999999999998 110.074 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -133.83 141.53 47.46 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.001 -1.111 . . . . 72.140000000000001 108.001 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.57 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 24.4 m-90 -114.87 114.08 25.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.362 -0.977 . . . . 74.329999999999998 108.362 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.93 -53.99 26.51 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.928 0.891 . . . . 74.409999999999997 110.47 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.34 -54.66 0.67 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.71 -1.356 . . . . 42.299999999999997 109.71 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.21 -16.57 34.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.35 0.66 . . . . 74.409999999999997 110.402 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 p -145.06 151.87 39.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.924 0.89 . . . . 70.450000000000003 111.518 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.7 p -97.66 113.77 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 N-CA-C 108.971 -0.752 . . . . 55.509999999999998 108.971 165.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 m -103.77 104.68 14.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.771 0.828 . . . . 74.219999999999999 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 72.7 t -112.18 125.63 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.697 0.799 . . . . 64.0 109.224 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.244 0.78 0 C-N-CA 124.558 1.143 . . . . 74.439999999999998 108.477 -178.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.868 -0.419 . . . . 75.120000000000005 109.868 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -83.72 95.61 8.46 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.563 -0.532 . . . . 74.140000000000001 109.563 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -76.36 130.16 37.66 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.305 -0.628 . . . . 73.200000000000003 109.305 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -160.99 159.62 29.67 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.487 1.115 . . . . 73.0 108.35 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -112.67 106.28 14.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.27 0.628 . . . . 73.409999999999997 109.366 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -127.52 130.83 49.85 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 124.258 1.023 . . . . 75.519999999999996 108.315 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.96 82.72 0.66 Allowed 'General case' 0 CA--C 1.551 1.002 0 O-C-N 123.745 0.653 . . . . 74.200000000000003 109.961 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' H ' ' H ' ' A' ' 9' ' ' SER . 26.6 tpt180 -176.51 -19.18 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.103 1.361 . . . . 54.329999999999998 109.424 -173.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.411 ' H ' ' H ' ' A' ' 8' ' ' ARG . 48.3 m -77.79 -147.14 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.023 0.929 . . . . 65.439999999999998 110.218 177.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.96 60.2 4.68 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 118.082 0.401 . . . . 74.239999999999995 112.602 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 121.01 19.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.853 -0.795 . . . . 71.030000000000001 108.853 176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -102.33 103.93 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.076 0.951 . . . . 64.219999999999999 108.854 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -89.46 106.04 18.19 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.49 0.716 . . . . 73.010000000000005 109.603 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.8 t -92.69 122.28 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.36 1.064 . . . . 74.010000000000005 108.46 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -128.04 122.09 31.32 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.321 0.649 . . . . 65.030000000000001 110.092 177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.562 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 26.8 t-20 -114.25 129.35 56.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.629 0.772 . . . . 73.129999999999995 109.254 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -121.6 126.92 50.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.457 -1.312 . . . . 52.43 107.457 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -101.88 139.59 37.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.226 0.61 . . . . 61.119999999999997 111.095 -168.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' HA2' ' A' ' 52' ' ' GLY . 6.3 m -96.73 126.5 41.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.092 -1.447 . . . . 63.420000000000002 107.092 170.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m 72.96 44.45 0.35 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.997 1.319 . . . . 63.229999999999997 109.213 -160.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.52 112.3 12.9 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.106 -0.952 . . . . 74.109999999999999 110.843 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.64 -112.3 1.02 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.451 -0.66 . . . . 51.439999999999998 111.451 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.75 73.41 7.73 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.657 0.741 . . . . 52.439999999999998 109.308 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.2 p -103.98 97.4 7.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.756 -1.111 . . . . 51.030000000000001 109.519 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -68.71 -50.01 54.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.271 0.628 . . . . 73.129999999999995 110.793 -171.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -162.26 -48.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.216 0.322 . . . . 74.120000000000005 111.681 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 1.4 m-85 56.65 33.85 23.51 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.793 1.237 . . . . 72.420000000000002 111.555 -177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.8 m -121.75 119.26 31.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.006 0.922 . . . . 64.530000000000001 109.64 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -138.3 125.88 22.1 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.907 0.883 . . . . 74.540000000000006 109.663 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -107.82 111.3 23.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.566 0.746 . . . . 74.420000000000002 109.518 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -116.13 129.67 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.733 0.813 . . . . 71.150000000000006 110.669 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 t -88.84 -7.37 56.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.017 0.527 . . . . 72.209999999999994 110.548 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' SER . 30.7 m -140.81 137.56 33.41 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.321 0.648 . . . . 75.530000000000001 109.723 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.16 -16.02 63.03 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.054 0.761 . . . . 73.030000000000001 113.054 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.511 ' H ' HG22 ' A' ' 33' ' ' THR . 24.3 m -58.25 -41.57 84.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 122.891 0.476 . . . . 74.239999999999995 110.464 172.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 16.2 mm-40 -75.74 -34.95 60.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.064 0.946 . . . . 73.340000000000003 111.129 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.77 -35.01 42.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.382 1.073 . . . . 63.329999999999998 112.068 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.01 -47.02 81.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.4 0.68 . . . . 71.439999999999998 111.294 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -67.87 -33.57 75.0 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.887 -0.597 . . . . 64.510000000000005 111.502 179.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.66 -55.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 123.778 0.674 . . . . 44.049999999999997 109.64 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.566 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -70.39 -27.72 64.53 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.99 0.806 . . . . 75.150000000000006 112.737 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.48 -54.8 41.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.641 0.376 . . . . 71.420000000000002 110.459 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.58 -35.77 60.52 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.482 0.488 . . . . 64.099999999999994 110.999 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' HD11 ' A' ' 48' ' ' ILE . 30.0 tp -64.27 -49.25 72.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.653 0.781 . . . . 71.310000000000002 110.496 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.1 ttpt -52.37 -47.33 66.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.618 1.167 . . . . 64.430000000000007 111.779 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.32 -43.21 74.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.291 -1.322 . . . . 63.329999999999998 111.065 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -72.51 -49.8 30.33 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 123.558 0.743 . . . . 54.130000000000003 110.935 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.418 HD11 ' HG ' ' A' ' 44' ' ' LEU . 87.4 mt -53.2 -32.27 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.169 0.987 . . . . 61.140000000000001 111.53 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' HD22 ' A' ' 82' ' ' LEU . 84.1 tttt -60.81 -41.88 96.55 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.477 -0.783 . . . . 70.299999999999997 111.807 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -82.21 -48.93 10.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.026 0.531 . . . . 65.450000000000003 111.494 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -90.66 78.26 6.24 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.54 -0.911 . . . . 74.239999999999995 108.54 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 19' ' ' THR . . . 161.8 104.0 0.19 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-N 114.688 -1.142 . . . . 71.010000000000005 110.689 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.67 -42.42 86.62 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.089 0.471 . . . . 61.200000000000003 110.643 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 8.5 mmpt? -129.44 -44.09 1.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.236 -0.893 . . . . 75.120000000000005 109.767 176.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.17 165.15 36.55 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 121.512 0.672 . . . . 74.230000000000004 112.713 -171.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -137.87 154.31 49.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.001 1.32 . . . . 75.310000000000002 108.513 168.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -93.67 150.06 20.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.564 0.746 . . . . 61.240000000000002 110.276 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.1 m -139.69 147.26 40.7 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.007 -1.109 . . . . 52.030000000000001 108.007 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -145.0 123.52 12.42 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.152 -1.055 . . . . 74.540000000000006 108.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.535 HG21 ' CD2' ' A' ' 71' ' ' PHE . 33.7 mt -115.01 133.0 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.606 1.162 . . . . 75.5 109.387 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.6 m -72.58 104.06 3.75 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.51 0.506 . . . . 65.310000000000002 110.443 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.4 130.44 42.19 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.356 -0.979 . . . . 61.340000000000003 108.356 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -83.12 -25.27 32.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.163 0.506 . . . . 72.140000000000001 110.179 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 p -133.38 151.12 51.81 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 124.041 0.937 . . . . 72.140000000000001 108.625 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -67.41 -18.24 65.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.075 0.55 . . . . 71.329999999999998 111.332 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.68 -39.15 93.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.757 0.823 . . . . 73.400000000000006 109.93 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 48.3 mt-10 -72.25 -39.63 68.29 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.259 -0.882 . . . . 75.439999999999998 110.367 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.26 -34.3 60.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.302 0.641 . . . . 72.040000000000006 111.653 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 52.0 mt-10 -65.95 -48.31 71.76 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.751 0.82 . . . . 74.439999999999998 112.29 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 22.0 pttp -77.69 -30.16 51.75 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.261 -0.4 . . . . 72.430000000000007 111.66 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD2' HG21 ' A' ' 60' ' ' ILE . 24.6 m-85 -72.51 -30.66 64.69 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.935 0.334 . . . . 74.25 110.142 171.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -64.48 -43.28 94.67 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 109.857 -0.423 . . . . 54.399999999999999 109.857 171.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.28 70.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 72.530000000000001 111.282 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.78 -48.04 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 124.173 0.989 . . . . 61.039999999999999 111.074 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.06 -41.71 77.23 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.214 0.606 . . . . 61.32 111.535 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.66 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.7 mp -57.7 -43.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.802 0.841 . . . . 71.109999999999999 109.225 173.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.9 -45.47 92.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.874 0.734 . . . . 51.200000000000003 111.123 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.566 HG21 HD12 ' A' ' 41' ' ' LEU . 8.6 t -60.5 -51.13 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.787 1.235 . . . . 64.010000000000005 111.583 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.01 -20.57 60.98 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.234 -0.439 . . . . 64.340000000000003 111.469 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 84' ' ' TYR . . . -73.01 -29.52 63.08 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.131 0.573 . . . . 60.130000000000003 111.085 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.89 -29.15 61.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.591 0.757 . . . . 45.509999999999998 110.237 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 49' ' ' LYS . 81.5 mt -78.53 -27.06 45.91 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.994 -0.548 . . . . 72.409999999999997 111.82 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.9 -104.73 0.19 Allowed Glycine 0 C--N 1.349 1.272 0 C-N-CA 121.357 -0.449 . . . . 73.329999999999998 112.832 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.0 m-85 -65.3 132.94 50.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.743 0.817 . . . . 64.510000000000005 110.896 -176.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -74.54 -36.19 63.12 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.43 0.456 . . . . 74.140000000000001 110.121 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -71.57 119.58 15.92 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.955 -1.021 . . . . 75.230000000000004 108.624 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.66 ' HB ' HG13 ' A' ' 76' ' ' ILE . 49.0 mm -129.91 150.29 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.912 0.885 . . . . 71.349999999999994 109.155 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -86.37 125.32 33.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.618 0.767 . . . . 73.439999999999998 109.341 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.609 ' HB ' HD11 ' A' ' 76' ' ' ILE . 3.4 p -135.4 144.05 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.382 1.073 . . . . 64.120000000000005 109.859 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 t -135.78 121.06 19.08 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.346 0.659 . . . . 64.510000000000005 109.336 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.419 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 14.1 m-90 -89.26 101.32 13.98 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.578 -0.737 . . . . 71.310000000000002 109.946 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.25 -63.76 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.607 -0.886 . . . . 74.319999999999993 108.607 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.34 -56.89 0.57 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 110.768 -0.933 . . . . 22.34 110.768 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -72.73 -26.1 61.45 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.194 0.597 . . . . 63.229999999999997 109.964 170.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 p -139.41 151.65 46.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.953 0.901 . . . . 73.340000000000003 110.939 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.6 p -117.34 109.65 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.398 -0.964 . . . . 73.099999999999994 108.398 165.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.1 m -96.45 114.36 26.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.317 0.647 . . . . 62.210000000000001 109.74 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.04 127.67 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.388 1.075 . . . . 54.200000000000003 109.547 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -131.63 143.6 50.43 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 107.85 -1.167 . . . . 74.230000000000004 107.85 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.509 ' HA2' HG23 ' A' ' 87' ' ' ILE . . . -62.18 154.96 40.06 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-O 120.121 -0.266 . . . . 75.140000000000001 112.83 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -74.29 136.03 42.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.09 0.556 . . . . 62.439999999999998 110.682 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.49 143.18 46.7 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.015 -0.993 . . . . 73.310000000000002 108.412 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.78 95.97 0.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.107 0.48 . . . . 73.409999999999997 110.536 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.68 89.34 0.14 Allowed Glycine 0 C--N 1.338 0.68 0 N-CA-C 110.382 -1.087 . . . . 43.119999999999997 110.382 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.96 142.42 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.647 0.779 . . . . 75.150000000000006 109.774 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.142 0.977 . . . . 65.010000000000005 108.567 178.733 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.619 0.247 . . . . 62.420000000000002 111.105 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.5 m80 61.22 69.99 0.63 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.053 1.341 . . . . 74.439999999999998 111.287 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -141.51 144.34 34.29 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.454 -0.794 . . . . 71.040000000000006 109.953 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -146.93 90.83 1.94 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.59 -1.263 . . . . 64.099999999999994 107.59 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -64.32 -59.9 3.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.831 0.852 . . . . 71.340000000000003 110.276 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -165.86 165.41 18.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.69 1.196 . . . . 73.450000000000003 109.663 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -142.38 81.47 1.74 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.906 -0.775 . . . . 74.439999999999998 108.906 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -93.49 103.11 15.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.551 -0.75 . . . . 43.340000000000003 108.986 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -142.6 -161.8 1.31 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.217 1.007 . . . . 75.299999999999997 108.428 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.63 54.78 4.99 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 111.644 -0.582 . . . . 44.340000000000003 111.644 172.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.5 129.77 40.9 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.619 0.768 . . . . 73.129999999999995 111.364 -171.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 71.0 mt -74.3 101.99 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.89 -1.152 . . . . 64.349999999999994 107.89 171.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' ILE . 59.8 tp60 -86.47 110.15 19.55 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.54 -0.754 . . . . 35.119999999999997 109.007 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -94.17 109.36 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 124.389 1.076 . . . . 63.310000000000002 108.337 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 58' ' ' THR . 34.8 tt0 -119.53 104.22 10.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.182 0.593 . . . . 74.310000000000002 109.62 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 27' ' ' TYR . 11.4 m120 -107.41 113.39 26.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.23 1.012 . . . . 70.040000000000006 108.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -115.69 124.84 51.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.631 0.773 . . . . 74.439999999999998 110.778 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -116.54 112.84 21.92 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.614 -1.254 . . . . 64.109999999999999 107.614 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.474 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 29.6 m -100.28 108.26 20.28 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.253 -0.647 . . . . 74.329999999999998 109.253 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 19' ' ' THR . 50.8 m -173.45 70.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.38 1.872 . . . . 50.5 106.593 175.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 73.61 -66.85 0.29 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.736 1.614 . . . . 71.299999999999997 111.798 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.55 98.04 0.31 Allowed Glycine 0 N--CA 1.475 1.237 0 N-CA-C 110.594 -1.002 . . . . 73.439999999999998 110.594 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.697 ' HG2' ' HB2' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -75.0 -41.92 58.56 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 117.069 0.434 . . . . 70.420000000000002 111.726 -171.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -151.15 -67.83 0.18 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.426 0.691 . . . . 71.310000000000002 109.811 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -166.18 138.34 3.84 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.929 -1.137 . . . . 73.219999999999999 107.929 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -69.3 118.55 12.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.374 -0.973 . . . . 73.0 108.374 173.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 16' ' ' ASN . 91.2 m-85 -63.4 117.68 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.915 0.886 . . . . 62.520000000000003 111.198 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -138.38 127.05 23.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.377 -0.601 . . . . 65.230000000000004 109.377 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -134.5 155.43 50.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.929 0.891 . . . . 72.340000000000003 109.425 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m -129.17 105.97 8.52 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.823 -0.806 . . . . 72.310000000000002 108.823 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.9 m -117.57 135.51 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.853 0.861 . . . . 73.310000000000002 108.754 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -83.76 -25.23 30.67 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 122.069 -0.394 . . . . 70.319999999999993 110.163 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 35' ' ' SER . 14.4 m -118.06 147.42 43.27 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.531 0.732 . . . . 50.140000000000001 110.674 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.63 -31.97 73.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.282 1.033 . . . . 74.540000000000006 110.942 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 33' ' ' THR . 35.3 m -55.4 -45.87 76.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.639 1.176 . . . . 54.340000000000003 112.136 177.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.46 -43.86 96.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.976 0.911 . . . . 64.329999999999998 110.303 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.11 -35.42 80.69 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.112 -0.949 . . . . 70.319999999999993 112.18 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -62.6 -27.36 69.14 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.664 0.386 . . . . 74.25 111.369 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -54.16 7.06 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.22 -0.659 . . . . 74.319999999999993 109.22 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.63 -59.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.173 0 C-N-CA 124.541 1.136 . . . . 72.120000000000005 111.907 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.45 -35.46 80.99 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.386 0.884 . . . . 73.439999999999998 113.386 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -72.53 -35.11 68.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.165 0.186 . . . . 75.219999999999999 110.879 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.74 -31.19 26.13 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.294 -0.261 . . . . 75.319999999999993 110.294 175.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 47' ' ' TYR . 40.0 tp -66.97 -27.63 67.61 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.569 1.148 . . . . 72.340000000000003 110.888 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HB2' HG13 ' A' ' 78' ' ' VAL . 32.4 ttpt -46.48 -46.6 19.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.211 1.405 . . . . 62.329999999999998 111.121 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -76.33 -31.54 58.2 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.735 -1.12 . . . . 65.310000000000002 111.445 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' HB2' HD12 ' A' ' 44' ' ' LEU . 15.7 m-85 -65.85 -42.74 90.08 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.359 0.663 . . . . 65.129999999999995 111.261 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.5 -33.14 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.839 0.856 . . . . 63.32 109.733 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -67.76 -34.44 76.81 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.775 0.83 . . . . 64.329999999999998 110.695 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.31 -46.82 47.3 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.191 -0.913 . . . . 71.219999999999999 110.359 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.697 ' HB2' ' HG2' ' A' ' 23' ' ' LYS . 3.8 pt20 -157.47 137.79 12.78 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.602 -0.726 . . . . 63.340000000000003 110.877 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.38 -129.0 2.01 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 109.687 -1.365 . . . . 74.420000000000002 109.687 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . 36.2 t -154.38 169.6 23.34 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.612 0.706 . . . . 62.43 110.112 169.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -60.75 -34.58 74.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.479 1.112 . . . . 72.230000000000004 111.337 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.531 HH12 ' HB2' ' A' ' 57' ' ' ARG . 1.9 tmm_? -97.43 117.39 31.56 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 107.541 -1.281 . . . . 71.510000000000005 107.541 178.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -140.77 131.72 26.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.617 0.767 . . . . 62.009999999999998 111.236 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.531 ' HB2' HH12 ' A' ' 55' ' ' ARG . 70.3 ttp85 -113.98 151.13 32.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.555 1.142 . . . . 65.299999999999997 109.587 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 18.5 m -140.79 109.2 5.86 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.871 0.468 . . . . 74.430000000000007 110.625 171.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 m -97.92 121.2 39.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.428 0.691 . . . . 74.540000000000006 109.228 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.497 HG21 ' CD2' ' A' ' 71' ' ' PHE . 53.8 mt -122.99 128.42 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.902 0.881 . . . . 60.229999999999997 110.168 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.469 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 27.7 m -69.62 122.89 20.0 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.314 0.384 . . . . 72.140000000000001 110.591 175.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.54 138.61 52.41 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.177 0.991 . . . . 72.219999999999999 108.35 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 -24.81 22.09 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.852 -0.425 . . . . 75.0 109.852 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.0 p -135.17 162.73 31.69 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.411 1.084 . . . . 74.140000000000001 110.002 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -72.19 -27.29 62.47 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.502 0.556 . . . . 64.430000000000007 112.502 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -67.05 -29.52 69.34 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.687 0.221 . . . . 64.230000000000004 110.677 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 65.7 mt-10 -73.47 -48.24 35.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.601 -0.518 . . . . 72.349999999999994 109.601 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.73 62.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.2 0.6 . . . . 73.420000000000002 112.23 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.25 -27.29 47.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.88 0.472 . . . . 74.109999999999999 111.709 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -77.06 -42.54 37.96 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 119.117 -0.468 . . . . 61.439999999999998 110.287 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD2' HG21 ' A' ' 60' ' ' ILE . 37.2 m-85 -66.16 -29.6 69.92 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.89 0.476 . . . . 75.129999999999995 110.229 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.85 -55.39 35.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.691 0.62 . . . . 64.5 109.764 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.96 77.62 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 124.102 0.876 . . . . 61.409999999999997 111.534 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 78' ' ' VAL . 95.3 mt -61.08 -51.78 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 124.045 0.938 . . . . 63.420000000000002 110.244 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.439 HD13 ' HB ' ' A' ' 98' ' ' VAL . 82.9 mt -63.31 -36.33 83.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.256 1.023 . . . . 73.109999999999999 113.011 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -44.02 92.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 109.034 -0.728 . . . . 70.439999999999998 109.034 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -69.2 -39.46 78.62 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.69 0.796 . . . . 72.430000000000007 111.868 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 45' ' ' LYS . 69.2 t -60.73 -50.55 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.776 0.83 . . . . 75.040000000000006 110.499 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -85.52 -16.55 39.12 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.523 -0.762 . . . . 61.420000000000002 112.572 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.46 85.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.494 0.317 . . . . 74.239999999999995 110.451 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.67 -21.2 65.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.989 -0.55 . . . . 74.310000000000002 111.258 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.36 -27.25 27.83 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.208 0.603 . . . . 60.109999999999999 110.311 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 162.5 129.82 1.06 Allowed Glycine 0 C--N 1.345 1.03 0 CA-C-O 119.83 -0.428 . . . . 62.420000000000002 112.376 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -81.36 80.93 7.66 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.964 -0.754 . . . . 63.340000000000003 108.964 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -99.88 -73.31 0.64 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.799 -1.185 . . . . 74.230000000000004 107.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -178.19 124.52 0.11 Allowed 'General case' 0 C--N 1.349 0.558 0 N-CA-C 106.965 -1.494 . . . . 64.430000000000007 106.965 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm -107.85 119.31 57.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 N-CA-C 109.225 -0.657 . . . . 72.239999999999995 109.225 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -88.47 150.09 23.31 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.088 0.955 . . . . 74.319999999999993 109.745 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.56 146.21 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.475 0.71 . . . . 73.109999999999999 110.224 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 m -142.89 108.01 4.96 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.929 0.891 . . . . 75.239999999999995 108.971 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -88.52 100.13 12.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 108.231 -1.026 . . . . 74.019999999999996 108.231 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -138.74 128.89 25.51 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.258 1.023 . . . . 73.510000000000005 110.049 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 37.94 95.74 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 123.919 0.762 . . . . 74.420000000000002 113.322 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 60.3 19.54 9.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.788 1.235 . . . . 73.540000000000006 111.727 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 m -119.56 129.89 54.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.941 0.896 . . . . 74.25 109.028 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 71' ' ' PHE . 2.6 p -92.25 108.37 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 121.666 0.746 . . . . 53.149999999999999 109.469 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.8 m -102.41 100.45 10.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 71.129999999999995 108.86 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.439 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.8 t -93.45 125.01 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.756 0.822 . . . . 65.409999999999997 109.071 176.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -113.64 136.11 53.18 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.4 0.68 . . . . 72.25 109.631 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.12 2.72 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.217 -1.153 . . . . 62.43 110.217 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -73.92 130.19 39.39 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 117.224 0.512 . . . . 61.210000000000001 110.484 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -67.1 101.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.423 -0.808 . . . . 75.349999999999994 108.957 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.07 126.96 29.44 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 106.744 -1.576 . . . . 61.43 106.744 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.25 111.94 0.5 Allowed Glycine 0 C--N 1.336 0.566 0 O-C-N 123.746 0.654 . . . . 32.130000000000003 112.285 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -72.54 98.34 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 C-N-CA 123.549 0.74 . . . . 60.32 109.436 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 CA--C 1.555 1.161 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.409 -172.505 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.639 -0.504 . . . . 55.350000000000001 109.639 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -143.97 132.54 22.28 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.699 0.8 . . . . 74.140000000000001 109.242 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.73 87.37 2.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.781 0.8 . . . . 63.229999999999997 110.594 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -153.85 144.84 22.75 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 107.125 -1.435 . . . . 63.130000000000003 107.125 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -63.78 95.96 0.12 Allowed 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.224 0.535 . . . . 75.409999999999997 110.923 -176.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.04 149.71 44.65 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.641 -1.163 . . . . 72.420000000000002 111.066 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -138.08 113.37 9.39 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 107.546 -1.279 . . . . 73.109999999999999 107.546 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.84 -45.97 90.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.692 0.797 . . . . 63.509999999999998 111.184 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 m -81.74 -10.33 59.39 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.66 0.784 . . . . 54.520000000000003 111.647 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . 67.68 69.92 1.26 Allowed Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.695 -0.562 . . . . 61.409999999999997 111.695 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.34 123.49 16.29 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.009 0.924 . . . . 74.129999999999995 111.076 -175.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.526 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 18.2 mt -72.16 104.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 114.65 -1.159 . . . . 73.099999999999994 110.612 -170.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -87.24 116.28 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.948 -0.76 . . . . 74.519999999999996 108.948 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -107.79 121.96 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 63.310000000000002 108.275 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG2' HG23 ' A' ' 28' ' ' THR . 42.3 mt-30 -131.39 115.49 16.3 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.433 -0.58 . . . . 73.430000000000007 109.433 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 24.5 t-20 -104.51 112.13 25.07 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.775 -0.824 . . . . 75.120000000000005 108.775 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -118.14 110.69 17.9 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.878 -1.527 . . . . 71.219999999999999 106.878 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.707 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 79.2 m-20 -100.64 139.61 36.08 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.198 -0.667 . . . . 51.219999999999999 109.198 -173.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 55' ' ' ARG . 61.1 p -92.14 105.46 17.68 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.72 -1.215 . . . . 71.310000000000002 107.72 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.0 p 162.42 136.96 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.213 1.805 . . . . 75.019999999999996 107.997 -168.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.91 77.8 2.81 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.671 -0.863 . . . . 75.150000000000006 108.671 172.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.2 -4.45 0.03 OUTLIER Glycine 0 C--N 1.342 0.878 0 CA-C-N 115.355 -0.839 . . . . 73.530000000000001 113.727 -174.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -71.7 95.0 1.41 Allowed 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 117.928 0.864 . . . . 64.310000000000002 108.897 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.9 m -67.76 -61.35 1.92 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.891 0.876 . . . . 73.230000000000004 110.762 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -101.82 139.83 36.93 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 107.463 -1.31 . . . . 74.129999999999995 107.463 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.49 107.98 10.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 107.533 -1.284 . . . . 62.240000000000002 107.533 170.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 39.0 m-85 -78.7 74.57 5.23 Favored 'General case' 0 CA--C 1.553 1.066 0 O-C-N 124.172 0.92 . . . . 63.420000000000002 111.63 -162.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 15' ' ' GLN . 89.3 m -107.31 124.78 50.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.023 0.929 . . . . 70.109999999999999 109.474 176.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -139.87 147.36 40.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.656 1.182 . . . . 73.120000000000005 108.274 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -128.37 108.12 10.31 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.586 0.63 . . . . 64.209999999999994 110.117 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 37' ' ' LEU . 24.9 m -113.24 148.03 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.225 1.01 . . . . 71.340000000000003 109.393 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -89.44 -22.76 22.35 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 118.014 0.37 . . . . 73.299999999999997 110.675 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -119.62 150.19 40.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.189 0.596 . . . . 51.32 110.982 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 1.3 mp0 -71.01 -32.58 69.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.989 1.316 . . . . 71.310000000000002 111.082 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.1 t -57.43 -44.97 85.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.082 0.953 . . . . 71.450000000000003 110.833 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -65.82 -35.38 80.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.056 0.942 . . . . 72.25 110.838 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.9 tt -68.29 -28.75 67.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.195 -0.911 . . . . 74.120000000000005 111.797 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.82 -28.73 69.76 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.982 0.513 . . . . 71.329999999999998 110.744 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -36.42 56.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.798 0.839 . . . . 72.099999999999994 110.134 174.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -58.82 -47.65 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.728 0.811 . . . . 63.340000000000003 110.537 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.485 HD13 HD23 ' A' ' 44' ' ' LEU . 4.2 mm? -73.51 -26.52 60.92 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.386 0.674 . . . . 53.219999999999999 112.012 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.89 -48.15 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.254 0.622 . . . . 74.329999999999998 110.183 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -33.22 59.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.155 0.582 . . . . 75.099999999999994 110.925 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.485 HD23 HD13 ' A' ' 41' ' ' LEU . 38.2 tp -64.25 -35.36 80.58 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.891 0.877 . . . . 71.5 110.995 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.6 -40.91 63.18 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.621 1.169 . . . . 70.230000000000004 111.39 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.56 -47.8 58.49 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.151 -0.931 . . . . 71.439999999999998 110.637 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.73 -30.84 70.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.704 0.802 . . . . 75.120000000000005 112.621 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.658 HG12 HD21 ' A' ' 18' ' ' ASN . 78.4 mt -81.89 -51.09 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.321 0.648 . . . . 75.420000000000002 110.346 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.4 tttt -66.17 -46.37 77.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.368 0.667 . . . . 70.109999999999999 112.402 -172.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.7 -39.29 88.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.479 1.112 . . . . 64.400000000000006 111.253 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -79.15 -11.8 59.98 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.338 0.655 . . . . 75.120000000000005 111.473 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.02 71.18 1.12 Allowed Glycine 0 C--N 1.352 1.447 0 C-N-CA 123.221 0.439 . . . . 73.099999999999994 113.3 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.707 ' SG ' ' HB3' ' A' ' 18' ' ' ASN . 10.5 t -104.91 163.76 12.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.066 0.547 . . . . 71.230000000000004 111.189 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -98.08 -74.92 0.56 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.527 0.731 . . . . 65.329999999999998 109.826 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 102' ' ' LEU . 35.6 ttp180 -99.79 128.06 45.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.936 0.494 . . . . 64.25 110.028 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 114.12 26.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.019 0.928 . . . . 73.120000000000005 109.241 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' HG23 ' A' ' 97' ' ' THR . 36.5 ttt180 -104.51 112.28 25.28 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.263 -0.643 . . . . 64.010000000000005 109.263 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 m -113.54 118.78 35.39 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.766 -0.828 . . . . 74.099999999999994 108.766 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.7 t -103.68 118.88 37.74 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.593 -1.262 . . . . 74.319999999999993 107.593 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.08 126.48 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.204 1.002 . . . . 74.129999999999995 109.708 -171.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.526 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 87.8 m -60.0 114.57 2.9 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.363 0.602 . . . . 53.43 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.94 108.78 17.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.013 1.325 . . . . 74.109999999999999 108.54 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -60.49 -32.71 71.7 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.437 0.695 . . . . 74.510000000000005 110.762 -176.379 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.0 p -139.39 175.37 9.62 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.109 1.364 . . . . 75.129999999999995 108.4 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -75.46 -17.29 60.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 110.066 -0.346 . . . . 72.150000000000006 110.066 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -71.04 -34.31 71.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.564 0.746 . . . . 63.340000000000003 109.495 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mm-40 -67.63 -50.77 56.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 108.871 -0.789 . . . . 74.120000000000005 108.871 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.61 44.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.076 0.951 . . . . 55.340000000000003 112.471 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.89 -53.48 55.14 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.049 1.34 . . . . 61.149999999999999 111.303 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HE3' ' HG2' ' A' ' 34' ' ' GLU . 61.8 pttt -73.02 -36.73 67.03 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 119.267 -0.397 . . . . 74.0 111.228 -173.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.571 ' HA ' HD12 ' A' ' 74' ' ' ILE . 99.2 m-85 -71.14 -20.85 62.26 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.867 0.303 . . . . 74.329999999999998 111.349 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.53 76.54 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 109.148 -0.686 . . . . 63.130000000000003 109.148 170.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.46 70.66 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 118.146 0.43 . . . . 71.329999999999998 111.877 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 71' ' ' PHE . 97.8 mt -70.23 -41.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.497 1.119 . . . . 71.010000000000005 110.876 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD13 ' HB ' ' A' ' 98' ' ' VAL . 21.4 mt -79.02 -46.58 17.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.567 0.747 . . . . 74.120000000000005 112.144 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.52 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -52.81 -34.67 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.561 1.145 . . . . 74.200000000000003 110.4 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -35.36 76.91 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.933 0.893 . . . . 61.240000000000002 111.23 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 HD12 ' A' ' 41' ' ' LEU . 63.8 t -84.2 -43.15 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.037 0.935 . . . . 72.219999999999999 110.654 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -72.86 -21.92 60.86 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.124 0.569 . . . . 73.319999999999993 112.09 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.54 60.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.338 0.655 . . . . 34.409999999999997 111.119 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -82.02 -50.66 8.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.997 -0.547 . . . . 75.239999999999995 110.788 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 49' ' ' LYS . 30.3 mt -84.8 -28.23 26.29 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.031 -0.532 . . . . 74.540000000000006 111.686 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.58 -69.67 0.83 Allowed Glycine 0 C--N 1.339 0.698 0 CA-C-N 115.858 -0.61 . . . . 74.450000000000003 112.267 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 t80 51.11 74.89 0.21 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.443 1.097 . . . . 73.209999999999994 109.911 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -154.67 -69.13 0.13 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.299 -1.0 . . . . 75.049999999999997 108.299 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -171.45 159.11 5.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.541 1.136 . . . . 73.340000000000003 108.313 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.52 HG13 HG13 ' A' ' 76' ' ' ILE . 49.9 mm -111.61 140.15 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.112 0.565 . . . . 74.209999999999994 109.83 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -116.35 107.91 15.41 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.213 -1.032 . . . . 73.219999999999999 108.213 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 98' ' ' VAL . 7.3 p -109.99 135.81 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.371 0.668 . . . . 33.149999999999999 110.238 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -146.25 136.93 24.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.991 1.317 . . . . 70.219999999999999 108.874 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -101.29 119.98 39.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.751 -0.833 . . . . 74.299999999999997 108.751 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -73.97 -30.54 62.57 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.273 0.629 . . . . 70.120000000000005 110.201 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.08 -87.06 0.2 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.56 -1.016 . . . . 73.099999999999994 110.56 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.11 11.14 12.45 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.599 0.76 . . . . 73.549999999999997 111.258 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.8 m -145.54 150.89 37.24 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.694 1.197 . . . . 70.329999999999998 108.62 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.83 117.21 52.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.281 0.632 . . . . 65.109999999999999 110.276 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.464 HG23 ' HG3' ' A' ' 57' ' ' ARG . 18.5 m -90.48 116.81 28.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.656 0.782 . . . . 42.25 109.395 170.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG22 HG23 ' A' ' 89' ' ' VAL . 40.1 t -113.93 145.52 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 107.286 -1.376 . . . . 74.239999999999995 107.286 166.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.91 150.63 49.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.21 1.004 . . . . 65.019999999999996 110.102 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.99 122.62 6.26 Favored Glycine 0 C--N 1.342 0.907 0 N-CA-C 108.846 -1.702 . . . . 55.009999999999998 108.846 162.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -71.97 110.04 6.2 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.414 0.607 . . . . 75.439999999999998 110.324 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 55' ' ' ARG . 2.9 tm? -111.61 136.19 51.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.325 1.05 . . . . 74.329999999999998 108.343 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -138.16 96.86 3.27 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.152 -1.055 . . . . 71.540000000000006 108.152 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.22 -120.38 0.06 OUTLIER Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.742 -0.663 . . . . 74.209999999999994 112.85 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.0 t -102.05 125.49 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.587 0.755 . . . . 62.109999999999999 109.814 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.246 0.894 0 N-CA-C 108.985 -0.746 . . . . 64.129999999999995 108.985 179.63 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 109.479 -0.563 . . . . 65.140000000000001 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.3 m170 58.67 27.03 15.28 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.844 1.257 . . . . 74.319999999999993 112.508 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -127.69 99.18 5.46 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.305 -0.998 . . . . 73.129999999999995 108.305 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -66.35 126.7 29.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.638 0.375 . . . . 51.420000000000002 111.332 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -114.6 -179.01 3.51 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.522 1.129 . . . . 71.239999999999995 109.209 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -82.4 27.49 0.5 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.984 0.514 . . . . 50.520000000000003 111.118 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -153.64 138.87 17.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.552 0.741 . . . . 64.510000000000005 109.468 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -135.9 146.31 47.23 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 106.75 -1.574 . . . . 73.239999999999995 106.75 167.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 m -79.82 160.67 26.04 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.124 0.487 . . . . 74.400000000000006 111.371 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.29 48.33 3.59 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.764 -0.653 . . . . 75.150000000000006 111.551 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' THR . 4.5 p30 -88.85 157.35 18.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.079 0.951 . . . . 71.150000000000006 111.107 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.43 106.69 19.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 107.575 -1.268 . . . . 72.239999999999995 107.575 170.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -81.15 104.54 11.7 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.423 -0.584 . . . . 74.219999999999999 109.423 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' THR . 48.4 t -93.82 124.84 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.898 0.879 . . . . 64.430000000000007 108.715 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -133.62 151.38 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.436 0.694 . . . . 73.5 110.138 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -129.06 126.21 38.94 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.97 -1.122 . . . . 62.539999999999999 107.97 163.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -102.53 111.13 23.3 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.548 -1.279 . . . . 73.310000000000002 107.548 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -100.74 126.83 47.31 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.351 0.596 . . . . 74.25 110.067 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 36.9 m -93.67 108.67 20.37 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.331 -1.729 . . . . 74.549999999999997 106.331 168.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t 179.91 170.38 1.16 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.837 0.711 . . . . 42.119999999999997 110.054 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -81.76 -3.19 53.19 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.556 0.742 . . . . 70.439999999999998 111.83 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.33 145.41 48.62 Favored Glycine 0 C--N 1.358 1.79 0 C-N-CA 123.364 0.507 . . . . 61.350000000000001 113.854 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -71.0 -54.15 12.28 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.163 0.585 . . . . 62.450000000000003 112.339 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -78.24 87.24 4.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.421 0.629 . . . . 72.019999999999996 110.507 -171.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -77.38 -17.85 57.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.932 -1.031 . . . . 74.209999999999994 110.881 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.73 -80.88 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.868 1.267 . . . . 71.010000000000005 112.059 -173.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 55.19 18.88 2.61 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.744 1.217 . . . . 71.409999999999997 113.203 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 62.3 m -92.26 118.0 30.45 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.439 0.695 . . . . 63.450000000000003 109.483 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.9 123.17 39.84 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.524 -0.917 . . . . 74.129999999999995 108.524 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -97.19 104.11 16.1 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.539 -1.282 . . . . 73.239999999999995 107.539 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.46 123.87 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 109.11 -0.7 . . . . 73.230000000000004 109.11 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 12.7 t -86.55 -26.99 24.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 122.003 -0.436 . . . . 55.450000000000003 110.333 -173.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.443 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.8 m -106.52 143.62 34.38 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.229 0.612 . . . . 61.219999999999999 109.777 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.51 -30.44 70.12 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.303 0.641 . . . . 65.420000000000002 110.916 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 33' ' ' THR . 21.6 m -56.28 -38.64 71.47 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.039 0.935 . . . . 73.450000000000003 111.457 176.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 39.3 mt-10 -66.64 -42.77 86.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 115.441 -0.799 . . . . 55.240000000000002 110.308 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.404 HD11 HD13 ' A' ' 60' ' ' ILE . 9.2 tt -62.22 -30.29 70.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.138 -0.937 . . . . 75.109999999999999 111.394 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.58 -35.51 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.81 0.444 . . . . 73.120000000000005 111.664 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -33.91 26.97 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 118.919 -0.562 . . . . 64.219999999999999 111.689 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 37' ' ' LEU . 4.0 m -63.8 -26.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.184 0.447 . . . . 64.200000000000003 110.562 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD11 HD23 ' A' ' 75' ' ' LEU . 3.6 mm? -70.45 -38.92 74.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.868 0.467 . . . . 41.409999999999997 111.865 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.452 0.701 . . . . 72.420000000000002 110.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.1 -46.7 61.26 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.53 -0.759 . . . . 71.420000000000002 110.884 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HG ' HG13 ' A' ' 48' ' ' ILE . 28.9 tp -71.04 -22.0 62.19 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.57 0.748 . . . . 75.109999999999999 111.133 -174.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -50.01 -44.74 51.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.367 1.067 . . . . 63.409999999999997 111.298 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.87 -53.65 55.45 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.857 -1.065 . . . . 55.450000000000003 111.034 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.61 -43.11 90.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.854 0.862 . . . . 71.030000000000001 111.921 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.424 HG13 ' HG ' ' A' ' 44' ' ' LEU . 63.0 mt -60.76 -43.96 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.197 0.999 . . . . 72.209999999999994 109.826 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.21 -33.94 74.1 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.223 0.609 . . . . 75.120000000000005 110.897 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -79.49 -27.76 41.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.194 0.998 . . . . 65.450000000000003 112.0 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -120.83 17.29 11.85 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.358 0.663 . . . . 71.299999999999997 110.457 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 54.28 2.06 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.687 -0.965 . . . . 52.520000000000003 110.687 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -73.92 -9.25 58.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.547 0.739 . . . . 43.329999999999998 111.958 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 19' ' ' THR . 62.8 tttp -142.88 -71.08 0.32 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.154 0.982 . . . . 74.519999999999996 109.687 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -147.07 144.44 29.09 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.548 0.739 . . . . 71.340000000000003 110.043 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 p -140.55 117.52 11.13 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.005 0.922 . . . . 72.25 109.278 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 97' ' ' THR . 37.2 ttt-85 -112.16 113.67 26.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.705 0.802 . . . . 73.019999999999996 109.564 -174.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.2 m -97.84 119.69 36.9 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.699 0.4 . . . . 55.049999999999997 110.574 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -113.96 120.41 40.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.041 0.936 . . . . 74.439999999999998 109.642 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.404 HD13 HD11 ' A' ' 37' ' ' LEU . 48.9 mt -111.43 127.02 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.214 1.006 . . . . 54.0 108.45 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.3 m -61.59 103.2 0.3 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.262 0.554 . . . . 74.030000000000001 111.116 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 96' ' ' VAL . . . -90.2 131.58 35.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.894 0.878 . . . . 73.5 109.693 176.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -88.25 -68.53 0.76 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.152 0.581 . . . . 73.319999999999993 109.657 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 67' ' ' GLU . 82.6 p -96.07 177.12 5.84 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 124.12 0.968 . . . . 74.219999999999999 110.269 175.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HG3' ' HD2' ' A' ' 66' ' ' LYS . 18.3 ptpt -65.8 -29.4 69.88 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.912 -0.403 . . . . 64.420000000000002 109.912 171.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HD2' ' HG3' ' A' ' 65' ' ' LYS . 4.7 mptp? -66.07 -29.86 70.28 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 123.606 0.762 . . . . 73.109999999999999 110.955 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 17.3 mm-40 -72.39 -47.42 49.48 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.426 -0.583 . . . . 74.109999999999999 109.426 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.427 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . . . -59.13 -34.65 72.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.159 0.983 . . . . 64.219999999999999 112.801 -175.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.43 -37.99 20.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.637 0.375 . . . . 71.400000000000006 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 60.5 pttt -81.8 -40.32 22.73 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 119.034 -0.507 . . . . 73.340000000000003 110.858 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 74' ' ' ILE . 88.9 m-85 -71.91 -23.26 61.45 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 118.119 0.418 . . . . 73.439999999999998 110.687 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.9 53.16 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.875 -0.787 . . . . 61.340000000000003 108.875 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' HD2' ' A' ' 77' ' ' LYS . . . -55.44 -46.2 76.76 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.998 0.812 . . . . 73.239999999999995 111.367 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 71' ' ' PHE . 96.6 mt -55.6 -36.02 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.489 1.116 . . . . 74.530000000000001 111.171 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 41' ' ' LEU . 87.7 mt -77.87 -46.64 20.82 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.018 0.527 . . . . 73.510000000000005 111.432 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.488 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.8 mp -59.16 -41.19 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.271 0.628 . . . . 62.420000000000002 111.293 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 73' ' ' ALA . 1.2 mpmm? -55.53 -38.07 68.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.045 0.938 . . . . 63.5 111.363 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 41' ' ' LEU . 90.0 t -79.85 -38.77 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.92 0.888 . . . . 71.109999999999999 111.283 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -79.63 -21.51 44.8 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.891 0.476 . . . . 73.510000000000005 111.999 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.19 62.62 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.803 0.335 . . . . 71.140000000000001 110.245 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.61 -29.45 27.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.368 0.667 . . . . 74.019999999999996 110.721 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.09 -12.74 43.28 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.684 0.794 . . . . 72.040000000000006 111.752 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.09 98.98 0.11 Allowed Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.457 -1.057 . . . . 41.340000000000003 110.457 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -77.98 104.53 8.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.15 0.58 . . . . 63.350000000000001 110.911 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -168.32 -172.42 1.72 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.818 1.247 . . . . 71.230000000000004 108.795 175.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -67.86 103.24 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.503 -0.555 . . . . 73.549999999999997 109.503 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.488 ' HB ' HG13 ' A' ' 76' ' ' ILE . 33.1 mm -83.65 128.71 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 108.762 -0.829 . . . . 72.540000000000006 108.762 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.0 134.52 34.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.643 0.377 . . . . 72.010000000000005 111.57 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.39 141.26 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.39 1.076 . . . . 60.549999999999997 109.258 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.9 m -138.81 109.16 6.48 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.263 1.025 . . . . 73.329999999999998 108.757 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -86.86 99.59 11.94 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.858 -0.793 . . . . 70.010000000000005 108.858 175.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.29 130.64 56.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.094 -0.957 . . . . 72.25 109.15 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.34 31.67 81.54 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-O 119.332 -0.705 . . . . 75.450000000000003 113.005 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 65.32 12.42 8.06 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 125.229 1.412 . . . . 63.030000000000001 112.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 m -103.98 144.73 31.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.425 1.09 . . . . 62.409999999999997 108.715 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 62' ' ' ALA . 3.2 p -91.08 109.34 20.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 121.843 0.83 . . . . 64.340000000000003 108.971 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.408 HG21 ' NH1' ' A' ' 57' ' ' ARG . 7.4 m -121.23 123.77 43.04 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 114.993 -1.003 . . . . 54.439999999999998 109.419 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 76' ' ' ILE . 58.2 t -122.47 143.36 35.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.218 -0.66 . . . . 71.239999999999995 109.218 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -140.72 160.03 40.93 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.906 0.883 . . . . 72.439999999999998 109.112 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.57 139.3 41.26 Favored Glycine 0 C--N 1.347 1.187 0 N-CA-C 111.962 -0.455 . . . . 71.120000000000005 111.962 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -75.26 107.6 7.47 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.161 0.505 . . . . 63.210000000000001 110.339 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.559 ' H ' HD23 ' A' ' 102' ' ' LEU . 2.5 pt? -88.85 163.71 15.52 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.317 -0.856 . . . . 71.230000000000004 108.881 169.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.57 90.02 0.73 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.451 -0.574 . . . . 74.109999999999999 109.451 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -95.28 64.15 1.37 Allowed Glycine 0 C--N 1.342 0.913 0 N-CA-C 110.623 -0.991 . . . . 53.140000000000001 110.623 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -54.21 123.57 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.429 1.091 . . . . 71.140000000000001 112.181 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.555 1.155 0 C-N-CA 124.173 0.989 . . . . 70.129999999999995 110.652 -179.326 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.54 0.209 . . . . 71.439999999999998 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -85.24 76.15 10.2 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.838 0.828 . . . . 73.439999999999998 109.04 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.66 -25.57 63.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.531 -1.213 . . . . 75.129999999999995 110.705 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -82.85 58.38 4.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.66 0.784 . . . . 55.329999999999998 110.119 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -69.92 120.17 15.23 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.468 0.707 . . . . 74.540000000000006 110.043 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -118.0 123.45 45.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.671 0.788 . . . . 63.409999999999997 109.171 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.63 153.92 42.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.869 0.468 . . . . 75.209999999999994 110.681 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 63.55 53.5 2.08 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.542 1.151 . . . . 75.319999999999993 108.951 -171.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.3 m -64.97 -29.23 70.15 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 114.884 -1.053 . . . . 71.540000000000006 111.079 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.52 159.95 29.09 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 116.431 -0.349 . . . . 64.319999999999993 113.151 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -72.17 153.16 41.79 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.246 0.546 . . . . 75.129999999999995 110.463 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 58.1 mt -108.09 118.95 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.063 0.945 . . . . 74.519999999999996 109.445 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -80.77 146.45 30.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.809 0.844 . . . . 72.140000000000001 110.67 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 46.2 t -128.4 107.21 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 106.725 -1.583 . . . . 72.200000000000003 106.725 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 58' ' ' THR . 86.5 mt-30 -113.4 104.07 11.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.801 -0.814 . . . . 54.539999999999999 108.801 -176.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.681 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 27.4 t-20 -104.69 117.46 34.14 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.261 -0.644 . . . . 74.5 109.261 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -120.17 109.56 15.57 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.427 -0.953 . . . . 54.240000000000002 108.427 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -102.98 119.91 39.69 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.406 -0.961 . . . . 74.120000000000005 108.406 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -118.9 120.12 36.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.026 0.931 . . . . 74.200000000000003 110.284 -172.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.4 p -172.89 157.57 3.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.519 1.128 . . . . 71.209999999999994 109.85 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.83 98.48 0.13 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.095 0.958 . . . . 73.019999999999996 110.768 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.92 -130.79 2.44 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.363 -1.095 . . . . 63.340000000000003 110.363 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -107.5 109.02 20.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.711 0.804 . . . . 62.210000000000001 109.671 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.3 p -82.21 95.83 7.66 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 109.793 -0.447 . . . . 73.310000000000002 109.793 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.68 94.32 3.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.996 0.519 . . . . 75.219999999999999 109.674 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.79 117.22 10.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.144 0.578 . . . . 73.230000000000004 109.744 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.681 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 55.4 m-85 -106.08 132.69 51.86 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.406 0.682 . . . . 75.340000000000003 109.173 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.4 m -139.05 125.54 20.49 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.57 0.748 . . . . 74.409999999999997 109.438 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 67.4 m-85 -123.42 148.66 45.91 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.284 1.033 . . . . 71.420000000000002 108.259 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.2 m -129.95 108.0 9.78 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.328 -0.989 . . . . 51.539999999999999 108.328 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.604 HG21 ' HB2' ' A' ' 37' ' ' LEU . 33.5 m -104.75 160.74 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.516 0.727 . . . . 64.420000000000002 110.3 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 t -112.95 -13.89 13.08 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.049 0.54 . . . . 61.210000000000001 110.089 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.504 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 37.6 m -125.65 144.55 50.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.301 1.041 . . . . 70.239999999999995 109.999 -176.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.32 -38.24 89.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.293 1.037 . . . . 70.209999999999994 110.837 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.423 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 23.9 m -58.53 -44.02 89.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.21 -0.904 . . . . 54.140000000000001 111.643 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 52.6 mt-10 -60.53 -37.28 80.69 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.005 0.816 . . . . 44.109999999999999 110.92 178.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.604 ' HB2' HG21 ' A' ' 31' ' ' VAL . 7.9 tt -68.69 -35.58 77.38 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.818 -0.628 . . . . 74.200000000000003 110.865 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.99 -35.56 75.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.952 0.501 . . . . 74.310000000000002 110.767 174.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -71.14 -49.78 40.43 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.73 -0.668 . . . . 72.310000000000002 110.464 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.5 m -64.1 -27.48 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 123.004 0.19 . . . . 63.509999999999998 111.023 -176.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 78' ' ' VAL . 2.6 mm? -81.14 -36.21 30.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.946 0.898 . . . . 72.140000000000001 111.97 175.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.35 -43.73 88.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.378 0.671 . . . . 72.219999999999999 110.357 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.93 -35.91 28.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.184 -0.916 . . . . 63.219999999999999 111.205 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 30.5 tp -54.68 -36.62 64.83 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.997 0.919 . . . . 71.349999999999994 110.871 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -52.49 -43.66 65.17 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.566 1.546 . . . . 75.25 112.008 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 27.3 t70 -66.29 -41.62 89.54 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.197 0.999 . . . . 70.420000000000002 111.321 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -62.35 -49.1 76.91 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.748 0.655 . . . . 73.129999999999995 111.755 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.24 -37.11 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.882 0.873 . . . . 75.010000000000005 110.275 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 82' ' ' LEU . 32.9 ttpt -61.29 -43.8 98.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.33 1.052 . . . . 72.400000000000006 110.679 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.3 -34.6 78.35 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.682 1.193 . . . . 63.439999999999998 110.407 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -65.2 -42.45 93.54 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.098 -0.956 . . . . 63.299999999999997 110.101 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.5 31.0 78.15 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 115.265 -0.879 . . . . 72.329999999999998 111.584 -171.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 t -80.25 136.42 36.45 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.735 0.814 . . . . 72.409999999999997 111.005 -166.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -63.2 -48.5 78.07 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.19 0.931 . . . . 64.140000000000001 111.763 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -97.49 126.58 42.85 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.92 -0.77 . . . . 64.420000000000002 108.92 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.5 p -131.61 121.76 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.452 -1.314 . . . . 65.030000000000001 107.452 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -137.65 140.36 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.14 0.576 . . . . 74.239999999999995 109.455 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 10.0 m -140.15 132.69 28.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.775 0.43 . . . . 60.229999999999997 110.388 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 m -113.59 120.64 41.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.088 0.955 . . . . 42.240000000000002 108.95 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.408 HD13 HD21 ' A' ' 37' ' ' LEU . 48.2 mt -115.93 134.25 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.761 0.825 . . . . 72.040000000000006 109.78 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 44.4 m -64.49 135.8 56.42 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.92 0.488 . . . . 63.340000000000003 111.266 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.15 136.22 34.89 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.766 1.226 . . . . 72.439999999999998 109.171 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -94.95 -60.5 1.67 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.295 0.638 . . . . 51.219999999999999 109.544 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.2 p -102.1 170.12 8.31 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.56 -0.533 . . . . 73.239999999999995 109.56 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -28.39 61.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.242 0.46 . . . . 64.219999999999999 112.242 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -70.24 -31.93 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 117.658 0.208 . . . . 64.420000000000002 110.793 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.1 mt-10 -68.0 -36.94 80.83 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.086 -0.506 . . . . 74.540000000000006 110.239 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.02 93.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.855 -0.611 . . . . 61.340000000000003 111.179 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.44 -37.05 63.38 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.949 0.499 . . . . 63.549999999999997 112.275 -176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.3 pttt -72.51 -39.1 67.87 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.781 0.264 . . . . 72.030000000000001 111.071 -178.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 37' ' ' LEU . 72.6 m-85 -76.74 -24.66 53.0 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.083 0.239 . . . . 61.039999999999999 111.485 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -58.99 -45.96 89.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.43 -0.581 . . . . 71.420000000000002 109.43 168.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.12 93.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.96 -1.018 . . . . 73.239999999999995 111.146 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.99 -28.1 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.794 0.837 . . . . 73.340000000000003 110.909 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.17 -48.9 12.43 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.326 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.413 HD11 HG21 ' A' ' 89' ' ' VAL . 46.6 mt -58.81 -35.61 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 C-N-CA 123.386 0.674 . . . . 73.439999999999998 111.311 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -25.11 67.01 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.61 0.764 . . . . 74.239999999999995 111.534 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 41' ' ' LEU . 14.1 t -84.63 -48.24 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.135 0.974 . . . . 72.129999999999995 110.846 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -65.44 -40.96 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.808 0.843 . . . . 62.329999999999998 112.156 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.93 73.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.864 0.727 . . . . 71.239999999999995 111.882 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.12 -47.07 81.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.372 0.669 . . . . 74.519999999999996 110.24 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 49' ' ' LYS . 70.9 mt -68.92 -27.36 65.69 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.003 -0.999 . . . . 71.349999999999994 111.374 -176.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.71 -142.57 14.08 Favored Glycine 0 C--N 1.344 0.986 0 N-CA-C 111.01 -0.836 . . . . 72.439999999999998 111.01 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 56.66 98.91 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.262 1.425 . . . . 53.109999999999999 111.108 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -78.95 125.07 28.88 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.383 -0.599 . . . . 63.439999999999998 109.383 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.16 97.75 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.438 1.495 . . . . 71.230000000000004 110.479 -170.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.5 mm -90.65 137.02 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.557 0.743 . . . . 72.219999999999999 109.014 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 101' ' ' GLN . 88.5 m-20 -87.26 130.07 34.73 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.969 0.507 . . . . 75.109999999999999 109.86 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 76' ' ' ILE . 61.1 t -117.87 120.01 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.534 1.134 . . . . 75.239999999999995 108.66 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m -119.05 108.6 14.92 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.908 0.883 . . . . 70.420000000000002 109.513 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -73.01 115.08 11.89 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.484 -0.932 . . . . 64.200000000000003 108.484 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -131.7 73.78 1.55 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.448 0.699 . . . . 73.099999999999994 110.386 -170.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.78 -105.22 1.1 Allowed Glycine 0 C--N 1.346 1.133 0 CA-C-N 114.855 -1.066 . . . . 75.25 113.65 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.99 6.6 47.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.782 0.833 . . . . 71.209999999999994 111.322 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 p -141.47 132.75 26.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.943 0.897 . . . . 74.230000000000004 111.206 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.2 p -94.21 112.87 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 N-CA-C 108.832 -0.803 . . . . 44.229999999999997 108.832 168.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.1 m -101.53 104.12 15.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.387 1.075 . . . . 55.219999999999999 110.38 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.15 128.85 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.738 0.815 . . . . 62.409999999999997 109.027 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -134.82 138.4 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.867 0.867 . . . . 74.019999999999996 110.145 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.49 124.71 8.25 Favored Glycine 0 C--N 1.35 1.314 0 N-CA-C 110.049 -1.221 . . . . 23.100000000000001 110.049 168.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.418 ' HB3' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -74.14 168.68 19.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.176 0.59 . . . . 61.119999999999997 112.137 -170.396 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.33 101.6 14.27 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 108.272 -1.01 . . . . 54.43 108.272 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 103.28 13.57 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 108.867 -0.79 . . . . 71.349999999999994 108.867 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 173.8 165.48 30.57 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.656 -0.702 . . . . 54.109999999999999 111.374 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.64 144.0 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 122.777 0.431 . . . . 71.430000000000007 110.418 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.048 0 N-CA-C 109.127 -0.694 . . . . 71.540000000000006 109.127 178.606 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.286 -0.635 . . . . 60.310000000000002 109.286 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -125.6 115.27 19.89 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 108.902 -0.777 . . . . 73.439999999999998 108.902 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -111.93 152.31 28.19 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.652 0.781 . . . . 73.129999999999995 109.549 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -78.53 159.72 28.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.107 -0.701 . . . . 75.400000000000006 109.107 173.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -123.76 117.71 25.55 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.98 -1.118 . . . . 72.010000000000005 107.98 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.61 85.34 5.35 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.829 -0.804 . . . . 73.109999999999999 108.829 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.51 133.86 38.9 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.409 0.623 . . . . 72.420000000000002 109.563 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -106.55 37.31 2.35 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.534 1.134 . . . . 75.219999999999999 109.548 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.72 -39.08 64.95 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.057 0.943 . . . . 52.310000000000002 110.398 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.54 144.95 11.14 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 114.318 -1.31 . . . . 70.239999999999995 111.002 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -71.77 135.23 46.64 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.829 -0.804 . . . . 73.109999999999999 108.829 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 52.8 mt -83.14 102.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.031 -0.729 . . . . 75.420000000000002 109.031 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -85.67 120.98 27.7 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 109.014 -0.735 . . . . 75.340000000000003 109.014 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.0 t -111.03 123.65 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.475 -1.305 . . . . 71.140000000000001 107.475 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -134.54 114.49 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.415 -0.957 . . . . 63.350000000000001 108.415 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 23.8 t-20 -104.23 146.23 29.09 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.39 -0.596 . . . . 73.040000000000006 109.39 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -122.34 108.58 13.4 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 107.961 -1.126 . . . . 70.219999999999999 107.961 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -101.39 148.76 24.78 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.315 -0.995 . . . . 73.25 108.315 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.496 HG22 ' SG ' ' A' ' 20' ' ' CYS . 19.7 m -93.49 144.65 25.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.241 0.616 . . . . 60.229999999999997 110.172 -172.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.496 ' SG ' HG22 ' A' ' 19' ' ' THR . 35.2 m 67.49 29.95 7.01 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.304 1.442 . . . . 73.439999999999998 112.065 175.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -126.48 85.44 2.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.469 -0.937 . . . . 74.140000000000001 108.469 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.78 -35.51 62.01 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 115.022 -0.99 . . . . 75.219999999999999 112.455 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -95.9 61.15 2.15 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.466 1.127 . . . . 60.340000000000003 109.758 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -59.52 121.58 11.91 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.333 -1.303 . . . . 64.209999999999994 111.053 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -63.8 -68.8 0.32 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.365 -0.976 . . . . 71.030000000000001 108.365 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -177.28 135.76 0.2 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.431 1.082 . . . . 41.229999999999997 108.672 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 87.2 m-85 -128.28 4.32 5.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.358 1.063 . . . . 73.109999999999999 110.703 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 71.9 m -105.42 117.57 34.35 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.291 0.636 . . . . 74.319999999999993 110.6 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -128.51 157.78 40.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.49 0.716 . . . . 64.230000000000004 109.186 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.03 129.35 41.89 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.687 -0.857 . . . . 73.019999999999996 108.687 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.85 132.25 61.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.873 0.869 . . . . 74.340000000000003 108.885 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.047 0.539 . . . . 62.350000000000001 111.672 -176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.455 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 30.2 m -141.18 151.11 43.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.605 0.762 . . . . 73.25 110.878 -178.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -66.17 -39.3 89.65 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.427 1.491 . . . . 75.340000000000003 113.981 -171.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 t -70.55 -31.8 68.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.268 0.227 . . . . 25.420000000000002 111.257 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 6.4 mm-40 -64.69 -30.16 71.17 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.554 0.692 . . . . 72.099999999999994 110.177 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 12' ' ' ILE . 25.0 tp -66.4 -33.69 76.28 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.197 -1.365 . . . . 75.099999999999994 112.063 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -61.34 -38.51 87.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.309 0.643 . . . . 75.219999999999999 111.119 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -68.89 -53.5 20.82 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.599 0.759 . . . . 74.329999999999998 110.641 -179.481 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.12 -28.42 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.718 -0.674 . . . . 75.340000000000003 112.089 -167.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HG ' HG22 ' A' ' 74' ' ' ILE . 3.6 mm? -71.76 -39.91 69.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.711 0.404 . . . . 73.540000000000006 111.593 174.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.39 -30.68 68.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.231 0.612 . . . . 73.400000000000006 111.294 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.35 -37.28 18.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.84 0.456 . . . . 74.299999999999997 110.893 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 27' ' ' TYR . 45.2 tp -62.72 -34.86 78.04 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.22 0.608 . . . . 73.5 110.381 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 34.0 ttpt -45.61 -46.82 14.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.717 1.607 . . . . 75.129999999999995 112.427 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.29 -35.58 73.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 61.420000000000002 111.521 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.96 -23.57 60.68 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.311 0.644 . . . . 72.239999999999995 111.803 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -81.89 -48.08 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.225 1.01 . . . . 74.439999999999998 109.747 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -68.42 -22.18 64.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.905 0.882 . . . . 73.530000000000001 111.814 -171.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -55.05 -36.03 65.13 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.828 0.851 . . . . 74.140000000000001 110.831 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -96.69 -71.0 0.69 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.53 -1.285 . . . . 75.439999999999998 107.53 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.49 35.14 65.24 Favored Glycine 0 C--N 1.361 1.968 0 O-C-N 123.682 0.614 . . . . 63.340000000000003 113.547 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.63 -65.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.09 0.956 . . . . 72.400000000000006 112.244 -170.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HB2' HG21 ' A' ' 19' ' ' THR . 4.5 mptp? -120.46 -84.58 0.66 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.752 -0.833 . . . . 63.219999999999999 108.752 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -120.67 165.9 14.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.64 0.733 . . . . 74.319999999999993 111.093 -168.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -136.12 127.11 27.76 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 106.424 -1.695 . . . . 45.32 106.424 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -124.59 108.17 11.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.03 0.832 . . . . 75.420000000000002 109.073 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -97.86 140.47 32.18 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.765 0.426 . . . . 73.450000000000003 110.272 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -121.41 118.27 29.01 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.246 -1.39 . . . . 43.420000000000002 107.246 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.4 mt -120.15 126.66 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.986 0.914 . . . . 73.409999999999997 108.831 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.8 m -61.07 128.31 35.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.503 0.721 . . . . 74.319999999999993 110.992 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.33 114.64 16.46 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.239 1.016 . . . . 60.210000000000001 108.359 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 9.4 mmt180 -76.59 -22.19 54.58 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.038 0.446 . . . . 64.150000000000006 111.74 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 72.1 p -135.38 170.4 16.0 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.543 1.137 . . . . 62.25 108.704 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.56 -25.31 65.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.505 -0.316 . . . . 72.310000000000002 110.48 170.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -66.4 -34.2 77.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.332 0.653 . . . . 73.140000000000001 111.043 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.659 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 33.5 mm-40 -66.85 -43.58 83.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.541 -0.54 . . . . 71.540000000000006 109.541 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -63.74 -30.21 71.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.18 0.992 . . . . 71.120000000000005 112.375 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.14 -58.64 4.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.535 0.734 . . . . 74.25 111.933 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 41.8 pttt -68.11 -28.88 67.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.676 -0.693 . . . . 65.439999999999998 111.714 -174.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.3 m-30 -88.58 -17.83 29.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.428 0.691 . . . . 73.409999999999997 112.161 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB2' ' HE1' ' A' ' 91' ' ' TRP . . . -59.98 -49.73 76.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.361 -0.977 . . . . 73.420000000000002 108.361 166.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.57 68.31 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.894 0.746 . . . . 62.210000000000001 112.404 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.472 HG22 ' HG ' ' A' ' 41' ' ' LEU . 57.7 mt -58.99 -45.33 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.85 0.86 . . . . 73.120000000000005 110.305 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.51 -37.67 68.31 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.082 -0.963 . . . . 71.099999999999994 112.462 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -59.38 -38.01 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 123.399 0.68 . . . . 50.43 110.084 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.82 -55.6 28.29 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.259 0.624 . . . . 55.229999999999997 111.136 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 69.1 t -53.02 -52.59 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.608 1.163 . . . . 75.510000000000005 111.752 -175.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -69.38 -35.31 75.68 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.398 -0.819 . . . . 72.019999999999996 111.936 -174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.99 73.45 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.777 0.431 . . . . 50.520000000000003 111.105 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 49.6 mt-10 -83.54 -16.58 44.94 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.602 0.761 . . . . 64.400000000000006 111.485 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 91.4 mt -77.47 -23.25 50.41 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.448 -0.575 . . . . 71.340000000000003 109.448 167.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.06 10.86 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.351 -0.84 . . . . 34.329999999999998 112.321 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.26 96.33 2.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.833 0.853 . . . . 72.530000000000001 109.804 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -79.01 -42.98 25.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.553 0.741 . . . . 72.140000000000001 110.291 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -69.86 123.83 22.47 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.221 -1.029 . . . . 74.430000000000007 108.221 169.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 76' ' ' ILE . 48.9 mm -112.52 118.46 57.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 123.128 0.571 . . . . 75.129999999999995 109.955 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.31 107.74 18.98 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.291 -1.374 . . . . 74.530000000000001 107.291 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.12 139.99 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.576 0.75 . . . . 61.229999999999997 110.05 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.3 m -129.82 119.64 23.7 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.537 1.135 . . . . 75.340000000000003 108.635 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.515 ' HE1' ' HB2' ' A' ' 72' ' ' ALA . 8.6 m-90 -97.33 98.52 10.04 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.044 -0.724 . . . . 73.219999999999999 109.044 173.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -80.64 -35.01 34.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.503 0.721 . . . . 52.399999999999999 109.928 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 -46.27 1.19 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.414 -0.812 . . . . 64.439999999999998 111.424 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.8 -24.76 35.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.359 0.664 . . . . 63.200000000000003 109.457 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 m -144.21 143.06 30.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.44 0.696 . . . . 64.439999999999998 109.744 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.18 138.01 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 108.38 -0.97 . . . . 72.25 108.38 164.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.3 m -131.98 135.48 46.59 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.538 0.735 . . . . 51.450000000000003 109.212 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.53 140.9 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.956 -1.127 . . . . 72.200000000000003 107.956 172.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -132.1 145.54 51.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 71.430000000000007 109.775 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.66 114.24 5.25 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 124.181 0.926 . . . . 43.109999999999999 112.174 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -79.63 129.87 34.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.55 0.74 . . . . 73.099999999999994 109.358 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.6 114.55 27.04 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.214 -1.032 . . . . 72.430000000000007 108.214 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 88.16 0.59 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.643 0.735 . . . . 72.310000000000002 109.641 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.75 50.67 0.19 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 109.913 -1.275 . . . . 14.31 109.913 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.8 170.1 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.737 0 C-N-CA 123.547 0.739 . . . . 61.030000000000001 110.934 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 123.859 0.864 . . . . 53.100000000000001 108.671 -178.022 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.973 0.416 . . . . 74.150000000000006 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -143.12 154.88 44.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.542 1.137 . . . . 73.150000000000006 108.679 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -71.08 99.85 1.92 Allowed 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.673 0.749 . . . . 75.310000000000002 110.44 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -81.93 165.11 21.05 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.425 -0.807 . . . . 71.420000000000002 111.481 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -72.6 172.22 11.0 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.196 -0.911 . . . . 75.420000000000002 109.32 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -53.42 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.851 0.86 . . . . 75.219999999999999 111.438 -172.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -69.76 129.85 40.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 115.464 -0.789 . . . . 75.319999999999993 110.379 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -92.94 -165.25 1.3 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.13 0.972 . . . . 73.230000000000004 110.389 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -56.66 120.55 7.98 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.344 0.658 . . . . 43.200000000000003 110.048 172.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.9 91.41 0.23 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 110.556 -1.017 . . . . 70.120000000000005 110.556 173.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -67.1 151.06 48.3 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.973 0.909 . . . . 63.140000000000001 111.534 -168.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 41.6 mt -78.21 105.19 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.934 -1.03 . . . . 72.030000000000001 109.639 -176.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -86.77 113.98 23.06 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.872 -0.788 . . . . 74.120000000000005 108.872 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.7 t -100.21 123.39 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.471 1.109 . . . . 61.450000000000003 108.377 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -128.86 151.81 49.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.369 1.068 . . . . 63.140000000000001 108.878 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -136.57 116.88 13.59 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.441 -0.948 . . . . 72.200000000000003 108.441 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.51 110.45 22.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.094 -1.076 . . . . 75.430000000000007 108.094 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -100.45 113.18 25.75 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.131 -1.433 . . . . 74.310000000000002 107.131 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 p -124.08 125.49 44.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.38 0.672 . . . . 75.109999999999999 109.671 -172.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' HB3' ' H ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -164.73 173.26 12.03 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 124.322 1.049 . . . . 44.130000000000003 109.741 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -67.52 129.97 41.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.266 0.627 . . . . 74.209999999999994 110.67 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.84 -72.73 2.67 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 116.235 -0.439 . . . . 61.530000000000001 112.769 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.99 147.99 23.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.459 0.704 . . . . 63.329999999999998 111.758 -175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.3 m -150.05 135.57 18.25 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.074 1.35 . . . . 73.109999999999999 108.567 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.13 164.13 22.29 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.417 0.687 . . . . 72.040000000000006 110.309 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -148.27 131.26 16.24 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 108.748 -0.834 . . . . 64.340000000000003 108.748 172.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -113.56 136.66 52.56 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.192 -1.04 . . . . 71.299999999999997 108.192 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -135.55 128.0 30.48 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.01 0.368 . . . . 72.319999999999993 110.651 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.65 133.41 43.55 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.118 1.367 . . . . 71.230000000000004 108.045 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -114.66 109.3 18.01 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.247 -0.649 . . . . 71.140000000000001 109.247 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.5 m -114.84 155.6 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.713 0.805 . . . . 63.109999999999999 109.746 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 t -111.29 -4.09 15.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.735 0.414 . . . . 70.129999999999995 110.665 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.513 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 3.4 m -133.26 143.8 49.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.622 0.769 . . . . 64.400000000000006 109.694 -177.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 37.9 mt-10 -68.11 -33.26 74.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 72.430000000000007 110.98 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 m -58.21 -46.95 84.94 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.165 -0.925 . . . . 72.219999999999999 110.986 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 42.6 mt-10 -60.44 -46.05 91.43 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.781 0.833 . . . . 71.510000000000005 110.002 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.6 tt -55.62 -35.73 66.2 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.285 -1.325 . . . . 74.120000000000005 112.319 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.24 -46.79 82.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.248 0.619 . . . . 74.5 111.423 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -31.2 62.56 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.927 0.491 . . . . 71.129999999999995 111.081 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.41 -40.71 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.828 0.851 . . . . 73.420000000000002 111.01 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.639 HD12 HG21 ' A' ' 78' ' ' VAL . 4.2 mm? -71.45 -29.24 64.63 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.042 0.537 . . . . 72.230000000000004 112.301 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -75.04 -43.97 50.43 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.188 0.595 . . . . 73.340000000000003 111.237 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.57 -39.58 77.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.498 0.319 . . . . 74.319999999999993 110.493 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.35 -43.82 96.61 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.215 1.006 . . . . 74.030000000000001 110.122 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -47.52 -45.67 26.82 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.495 1.518 . . . . 71.200000000000003 112.039 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.9 -1.045 . . . . 72.150000000000006 111.025 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.6 -36.13 68.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.592 0.757 . . . . 74.299999999999997 112.206 -173.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.5 -44.93 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.907 0.883 . . . . 64.530000000000001 109.591 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HB2' HD22 ' A' ' 82' ' ' LEU . 33.2 ttpt -69.24 -44.78 71.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.268 1.427 . . . . 74.439999999999998 111.968 -178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.78 -34.25 77.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.758 1.223 . . . . 75.340000000000003 111.484 -169.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.17 139.76 32.97 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.492 -0.929 . . . . 74.439999999999998 108.492 168.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.42 43.86 3.28 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-O 120.132 -0.26 . . . . 75.140000000000001 112.906 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 t -73.89 158.37 34.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.003 0.521 . . . . 75.409999999999997 110.142 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.638 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 57.1 tptt -79.75 -59.82 2.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.373 0.669 . . . . 74.099999999999994 110.216 -172.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.18 135.28 42.96 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.209 -0.663 . . . . 73.150000000000006 109.209 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -137.21 129.1 29.03 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.451 -0.944 . . . . 74.209999999999994 108.451 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -117.61 127.19 53.71 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.369 -0.604 . . . . 61.530000000000001 109.369 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.552 ' HB ' HD22 ' A' ' 75' ' ' LEU . 13.0 m -97.1 144.04 27.34 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.944 -1.132 . . . . 75.310000000000002 107.944 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 13.0 t -137.86 120.94 16.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.51 0.724 . . . . 52.109999999999999 109.463 -170.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 37' ' ' LEU . 55.9 mt -121.2 134.63 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.015 0.926 . . . . 65.310000000000002 109.639 -173.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 62.1 m -68.21 138.7 55.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.445 0.698 . . . . 64.439999999999998 110.968 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.44 129.08 19.21 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.018 0.927 . . . . 74.129999999999995 109.026 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -93.56 -43.44 8.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.739 0.416 . . . . 71.430000000000007 110.102 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -105.03 166.37 10.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.589 0.756 . . . . 75.219999999999999 109.761 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -35.62 79.65 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 123.968 0.792 . . . . 74.219999999999999 110.796 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.57 -36.74 83.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.369 0.668 . . . . 74.230000000000004 110.761 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 50.7 mt-10 -68.69 -39.5 80.52 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 115.589 -0.732 . . . . 73.540000000000006 110.376 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.4 89.8 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.719 0.407 . . . . 44.200000000000003 111.215 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.14 -36.61 58.7 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 54.340000000000003 111.673 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 61.8 pttt -82.07 -41.49 20.52 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 119.198 -0.429 . . . . 74.420000000000002 111.997 -174.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' HA ' HD12 ' A' ' 74' ' ' ILE . 81.2 m-85 -70.43 -26.06 63.49 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.232 0.469 . . . . 71.299999999999997 110.865 177.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.5 -50.13 74.05 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.787 0.679 . . . . 72.140000000000001 109.651 168.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -64.21 -36.75 85.08 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.511 0.725 . . . . 73.209999999999994 111.879 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 71' ' ' PHE . 93.5 mt -59.51 -41.06 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 124.645 1.178 . . . . 63.25 110.466 175.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 58' ' ' THR . 95.8 mt -67.9 -42.94 80.36 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.773 0.829 . . . . 73.099999999999994 112.371 173.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.454 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.6 mp -58.08 -36.38 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 123.03 0.532 . . . . 65.340000000000003 110.737 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.9 mtpt -62.58 -42.84 99.8 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.714 0.805 . . . . 73.120000000000005 111.748 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.639 HG21 HD12 ' A' ' 41' ' ' LEU . 31.2 t -61.66 -49.75 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.078 0.951 . . . . 75.409999999999997 111.198 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.426 ' HB3' HD12 ' A' ' 87' ' ' ILE . 89.9 m-85 -72.67 -22.4 60.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.775 0.43 . . . . 74.319999999999993 111.997 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.01 73.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.376 0.67 . . . . 63.350000000000001 110.714 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.97 -40.64 68.47 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.472 -0.785 . . . . 64.109999999999999 110.333 172.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 49' ' ' LYS . 85.1 mt -68.02 -24.37 65.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 74.219999999999999 112.213 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -168.34 138.65 5.24 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.395 0.434 . . . . 53.350000000000001 112.215 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -82.28 72.97 9.35 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.065 0.936 . . . . 65.109999999999999 108.78 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -145.53 169.1 19.05 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.121 1.368 . . . . 73.299999999999997 108.645 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.07 144.8 56.48 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.931 0.492 . . . . 60.439999999999998 109.761 170.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 79' ' ' TYR . 20.8 mm -119.84 138.05 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 108.734 -0.839 . . . . 74.120000000000005 108.734 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 98' ' ' VAL . 39.4 t30 -93.37 141.46 28.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.873 0.869 . . . . 74.439999999999998 109.844 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.454 ' HB ' HD11 ' A' ' 76' ' ' ILE . 2.7 p -121.58 130.59 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.896 0.878 . . . . 72.420000000000002 108.872 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.7 m -129.46 104.75 7.66 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.203 -0.666 . . . . 62.229999999999997 109.203 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -78.2 109.59 12.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.852 -0.796 . . . . 71.409999999999997 108.852 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.17 -6.55 59.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.205 0.602 . . . . 64.040000000000006 110.72 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.13 -104.39 0.77 Allowed Glycine 0 C--N 1.349 1.292 0 N-CA-C 111.255 -0.738 . . . . 45.210000000000001 111.255 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.56 0.72 25.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.951 0.9 . . . . 72.140000000000001 112.144 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.9 m -141.99 130.18 22.16 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.014 -1.106 . . . . 74.140000000000001 108.014 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 59' ' ' SER . 17.6 m -92.78 144.33 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.596 0.758 . . . . 65.340000000000003 108.983 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.8 m -136.32 106.63 6.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.258 0.623 . . . . 73.409999999999997 109.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 88' ' ' ASN . 44.5 t -104.35 138.96 26.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 123.624 0.77 . . . . 60.240000000000002 110.628 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -123.99 135.04 53.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.265 1.426 . . . . 71.310000000000002 108.715 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.1 101.53 2.27 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 110.818 -0.913 . . . . 61.439999999999998 110.818 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -74.63 169.29 18.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.432 0.693 . . . . 71.099999999999994 112.041 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.45 150.44 46.5 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 114.928 -1.033 . . . . 70.409999999999997 110.883 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 67.08 5.57 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.884 -1.053 . . . . 62.409999999999997 109.778 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.78 4.48 85.77 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-N 115.054 -0.976 . . . . 65.420000000000002 113.077 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -99.48 143.06 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.814 0.846 . . . . 74.319999999999993 110.095 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 108.72 -0.844 . . . . 74.540000000000006 108.72 177.765 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' ND1' ' A' ' 2' ' ' HIS . 17.4 tmm? . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 108.821 -0.807 . . . . 71.200000000000003 108.821 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.417 ' ND1' ' SD ' ' A' ' 1' ' ' MET . 29.2 m80 -145.57 132.0 19.69 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 109.144 -0.687 . . . . 73.439999999999998 109.144 169.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -139.74 102.31 4.4 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.917 -0.771 . . . . 74.310000000000002 108.917 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -157.16 151.75 25.44 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.583 0.753 . . . . 73.340000000000003 109.594 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -129.41 152.33 49.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.326 0.65 . . . . 71.129999999999995 110.431 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -97.08 125.31 41.47 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.783 0.833 . . . . 44.32 110.049 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -147.73 177.11 9.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.251 0.62 . . . . 73.439999999999998 110.758 -177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -129.85 105.19 7.84 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.12 0.568 . . . . 63.340000000000003 110.852 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -73.33 109.17 6.65 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.966 -1.124 . . . . 73.349999999999994 107.966 170.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.89 75.86 1.3 Allowed Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.331 -1.508 . . . . 73.299999999999997 109.331 -166.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.57 147.99 52.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.331 1.053 . . . . 73.239999999999995 111.036 -173.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 37' ' ' LEU . 54.5 mt -76.19 103.54 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.37 -0.832 . . . . 74.519999999999996 109.864 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.3 118.81 37.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.897 0.479 . . . . 74.310000000000002 110.273 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -92.97 127.35 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.346 1.059 . . . . 74.329999999999998 108.96 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG2' HG23 ' A' ' 28' ' ' THR . 46.5 mt-30 -133.51 109.8 9.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.479 0.712 . . . . 64.400000000000006 109.798 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.645 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 t-20 -104.48 122.43 45.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 110.002 -0.37 . . . . 73.510000000000005 110.002 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.31 123.61 47.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.598 -0.89 . . . . 63.509999999999998 108.598 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.634 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 6.1 p-10 -113.2 123.57 50.51 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 108.95 -0.759 . . . . 74.010000000000005 108.95 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.615 ' HB ' ' HB3' ' A' ' 55' ' ' ARG . 36.2 m -95.18 110.48 22.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 123.622 0.769 . . . . 43.240000000000002 109.846 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.26 166.94 0.59 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.454 1.502 . . . . 71.329999999999998 109.343 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -72.47 92.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 121.178 0.513 . . . . 71.239999999999995 109.928 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.29 178.9 41.19 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.061 -0.972 . . . . 21.25 111.383 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -133.42 5.54 3.76 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.475 0.71 . . . . 71.0 110.343 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -83.27 98.77 9.59 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.704 -0.622 . . . . 52.409999999999997 110.252 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.69 23.17 12.18 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.593 1.157 . . . . 74.129999999999995 109.875 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.53 6.41 5.84 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.808 1.243 . . . . 75.340000000000003 111.96 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.645 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 40.5 m-85 -74.04 1.75 10.31 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.023 1.329 . . . . 71.430000000000007 112.204 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.605 HG23 ' HG2' ' A' ' 15' ' ' GLN . 60.9 m -94.49 119.63 33.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.711 0.805 . . . . 65.049999999999997 110.955 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -131.85 158.7 40.64 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.351 1.06 . . . . 75.540000000000006 109.34 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -130.41 111.57 12.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.367 0.667 . . . . 74.099999999999994 109.772 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.36 143.64 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.816 0.846 . . . . 73.140000000000001 110.05 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -98.05 -4.69 35.45 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 122.015 -0.428 . . . . 34.229999999999997 111.12 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 35' ' ' SER . 19.3 m -123.1 137.97 54.78 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.249 0.62 . . . . 71.400000000000006 110.269 -176.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.29 -30.74 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.341 1.056 . . . . 71.540000000000006 111.181 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 33' ' ' THR . 22.4 m -58.58 -54.69 44.21 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.523 0.729 . . . . 73.200000000000003 110.322 174.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -67.03 -21.82 65.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.346 -0.843 . . . . 63.420000000000002 112.344 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 74' ' ' ILE . 1.7 tt -63.6 -51.0 67.17 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.653 0.781 . . . . 73.010000000000005 108.899 170.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -63.7 -34.01 76.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.874 0.87 . . . . 74.239999999999995 111.896 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -63.14 -60.01 4.0 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.719 -0.474 . . . . 72.109999999999999 109.719 172.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.09 -23.07 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 71.439999999999998 112.293 -166.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD12 HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.21 -41.66 63.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.432 0.693 . . . . 72.519999999999996 110.665 175.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.7 -27.25 61.96 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.198 -0.91 . . . . 63.420000000000002 110.048 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -75.66 -40.62 55.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.044 0.538 . . . . 73.230000000000004 110.137 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 27' ' ' TYR . 20.5 tp -70.27 -23.49 62.89 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.966 -0.561 . . . . 43.539999999999999 110.655 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' HG3' HD21 ' A' ' 82' ' ' LEU . 37.9 ttpt -54.42 -39.42 67.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.21 1.004 . . . . 64.430000000000007 111.383 174.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.09 -44.11 87.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.86 0.864 . . . . 73.209999999999994 111.062 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -66.63 -54.87 18.66 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.349 0.66 . . . . 74.349999999999994 110.765 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -58.75 -40.44 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 124.065 0.946 . . . . 55.119999999999997 111.537 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -69.15 -47.47 64.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.62 1.168 . . . . 63.340000000000003 111.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -82.06 -20.62 37.87 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.658 -1.156 . . . . 74.420000000000002 111.483 -172.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -76.36 122.03 23.87 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.424 -0.584 . . . . 64.310000000000002 109.424 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.16 77.22 0.86 Allowed Glycine 0 C--N 1.349 1.258 0 N-CA-C 111.125 -0.79 . . . . 74.209999999999994 111.125 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 18' ' ' ASN . 8.1 t -136.89 135.92 38.22 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.494 0.718 . . . . 63.450000000000003 109.609 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -75.39 -65.37 0.9 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.226 0.61 . . . . 73.049999999999997 111.186 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.615 ' HB3' ' HB ' ' A' ' 19' ' ' THR . 23.3 tpp180 -97.96 134.05 41.6 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.287 0.635 . . . . 74.150000000000006 109.771 -172.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 t -139.55 127.75 22.54 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.001 -0.74 . . . . 51.549999999999997 109.001 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -140.12 123.14 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.428 -0.582 . . . . 72.299999999999997 109.428 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -101.46 151.35 22.05 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.384 0.674 . . . . 74.239999999999995 110.422 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -142.22 119.43 11.46 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 108.384 -0.969 . . . . 62.149999999999999 108.384 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.47 HD13 HD21 ' A' ' 37' ' ' LEU . 34.3 mt -118.2 127.4 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 124.293 1.037 . . . . 72.239999999999995 110.366 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 85.0 m -60.33 124.15 19.43 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.543 0.737 . . . . 71.519999999999996 110.79 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 67' ' ' GLU . . . -131.06 102.68 6.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.391 1.077 . . . . 22.420000000000002 109.43 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -58.47 -34.56 71.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.199 0.6 . . . . 61.219999999999999 112.242 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -128.35 166.9 17.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.192 0.997 . . . . 73.129999999999995 109.797 174.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.076 -0.511 . . . . 72.25 110.153 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -50.97 -47.28 61.34 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.139 1.376 . . . . 44.43 110.325 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 36.4 mm-40 -67.09 -47.62 70.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.558 -0.746 . . . . 71.439999999999998 110.404 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.32 71.14 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.372 1.045 . . . . 62.030000000000001 112.853 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 42.1 mt-10 -76.46 -44.6 34.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.617 0.767 . . . . 73.129999999999995 111.862 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -78.63 -23.61 45.73 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.395 0.517 . . . . 73.450000000000003 112.395 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -90.52 -19.43 23.81 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.926 0.49 . . . . 74.150000000000006 111.773 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -60.61 -43.89 96.92 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 108.773 -0.825 . . . . 64.129999999999995 108.773 164.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.41 72.92 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.077 -0.965 . . . . 73.340000000000003 112.001 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.5 HG21 HD22 ' A' ' 37' ' ' LEU . 58.6 mt -62.5 -42.13 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.337 0.655 . . . . 64.239999999999995 110.759 173.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.412 HD21 HD11 ' A' ' 60' ' ' ILE . 98.3 mt -74.6 -35.7 62.97 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.737 -0.665 . . . . 63.520000000000003 112.188 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.594 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -66.9 -36.97 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.158 0.583 . . . . 64.549999999999997 109.731 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.85 -48.12 82.0 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.846 0.858 . . . . 71.25 111.373 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 HD12 ' A' ' 41' ' ' LEU . 58.4 t -71.17 -42.09 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.782 -1.099 . . . . 73.209999999999994 111.626 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -75.95 -18.52 59.3 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.248 0.619 . . . . 73.219999999999999 112.261 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.13 -29.63 63.03 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.994 0.518 . . . . 75.219999999999999 110.638 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.34 -32.78 64.75 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.413 -0.812 . . . . 71.519999999999996 110.241 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 45' ' ' LYS . 60.5 mt -77.39 -26.23 51.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.639 -0.71 . . . . 74.109999999999999 111.282 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.89 126.36 1.44 Allowed Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.186 -1.166 . . . . 64.329999999999998 110.186 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.86 69.95 4.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.585 0.754 . . . . 74.040000000000006 109.777 -173.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -139.13 163.55 32.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.855 1.262 . . . . 70.299999999999997 108.428 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 145.47 49.61 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.912 -0.773 . . . . 74.019999999999996 108.912 168.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.609 ' HA ' ' HB3' ' A' ' 101' ' ' GLN . 14.2 mm -114.17 147.62 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 N-CA-C 109.646 -0.502 . . . . 73.299999999999997 109.646 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -88.3 121.34 30.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.433 0.693 . . . . 74.219999999999999 109.773 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 76' ' ' ILE . 15.8 t -107.96 131.42 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.058 0.543 . . . . 64.420000000000002 110.196 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -119.34 107.79 13.8 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.35 -0.981 . . . . 74.209999999999994 108.35 169.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.49 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 19.6 m-90 -81.21 100.08 8.92 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.561 -0.904 . . . . 72.349999999999994 108.561 173.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 95' ' ' THR . 22.0 t70 -73.95 -44.93 53.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.238 0.615 . . . . 74.530000000000001 110.565 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.11 -82.0 0.21 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.649 -0.581 . . . . 61.200000000000003 111.649 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.63 -10.41 59.51 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.217 0.607 . . . . 70.409999999999997 110.932 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 69.3 m -145.29 143.99 30.51 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.019 1.328 . . . . 73.219999999999999 108.38 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.1 p -97.43 139.49 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 108.382 -0.97 . . . . 72.510000000000005 108.382 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -129.53 104.1 7.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.838 -0.801 . . . . 74.209999999999994 108.838 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.45 135.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.294 0.638 . . . . 74.140000000000001 109.899 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -118.44 139.57 51.21 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 124.45 1.1 . . . . 71.209999999999994 108.318 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -65.65 94.12 0.19 Allowed Glycine 0 C--N 1.352 1.433 0 O-C-N 123.988 0.805 . . . . 72.230000000000004 113.091 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.609 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . 5.5 tp-100 -74.94 108.45 7.68 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.667 0.787 . . . . 72.340000000000003 110.301 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -99.37 115.63 29.68 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 107.192 -1.41 . . . . 75.200000000000003 107.192 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -96.97 128.87 44.36 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 108.679 -0.86 . . . . 51.509999999999998 108.679 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.53 23.66 0.02 OUTLIER Glycine 0 C--N 1.339 0.74 0 O-C-N 123.583 0.552 . . . . 71.219999999999999 113.367 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 m -89.23 65.32 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.36 1.076 . . . . 73.400000000000006 109.737 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.252 1.207 0 CA-C-N 114.438 -1.255 . . . . 62.409999999999997 109.161 -175.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 109.827 -0.434 . . . . 71.030000000000001 109.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.62 77.86 5.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.55 0.69 . . . . 71.109999999999999 109.219 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -144.37 133.38 22.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.213 1.005 . . . . 71.430000000000007 108.437 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -79.55 77.84 6.12 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.1 -1.074 . . . . 54.409999999999997 108.1 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -81.4 90.1 6.16 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.046 -0.724 . . . . 73.109999999999999 109.046 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -69.43 125.97 28.32 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.266 -0.425 . . . . 74.420000000000002 109.932 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -165.43 138.36 4.4 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.219 -1.03 . . . . 74.030000000000001 108.219 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.42 103.45 0.31 Allowed 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.191 0.596 . . . . 74.310000000000002 109.974 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.42 ' HA ' ' HG3' ' A' ' 63' ' ' ARG . 50.7 m -66.79 97.22 0.45 Allowed 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.126 -0.943 . . . . 65.219999999999999 110.222 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.37 131.44 51.4 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.122 -0.945 . . . . 65.299999999999997 110.952 172.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -59.92 156.83 13.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.998 0.919 . . . . 64.239999999999995 112.254 -170.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -79.63 104.18 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.279 -0.873 . . . . 60.200000000000003 110.458 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -94.85 132.63 39.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.815 -0.809 . . . . 50.420000000000002 108.815 169.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.2 t -118.57 130.05 73.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 C-N-CA 124.818 1.247 . . . . 72.510000000000005 107.954 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.75 144.83 50.04 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.388 -0.967 . . . . 60.030000000000001 108.388 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.5 t-20 -140.28 128.61 22.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.686 0.394 . . . . 61.299999999999997 110.087 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 56' ' ' SER . 15.3 m120 -107.61 112.93 25.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.741 1.216 . . . . 72.230000000000004 108.997 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -99.97 146.76 26.33 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.594 0.358 . . . . 31.440000000000001 110.856 -175.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -95.94 157.16 16.02 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 107.932 -1.136 . . . . 75.349999999999994 107.932 164.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.8 m 56.95 45.84 20.58 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.744 0.818 . . . . 70.540000000000006 111.087 -167.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -95.12 132.01 40.5 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.003 -0.74 . . . . 62.210000000000001 109.003 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.69 -63.01 0.06 OUTLIER Glycine 0 C--N 1.341 0.852 0 N-CA-C 111.508 -0.637 . . . . 73.239999999999995 111.508 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -149.89 105.89 3.45 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.445 0.698 . . . . 74.239999999999995 109.372 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -155.94 -177.49 6.61 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 124.93 1.292 . . . . 71.239999999999995 108.198 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -83.28 170.96 14.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.955 0.502 . . . . 75.049999999999997 109.751 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -84.28 126.08 32.85 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.009 0.524 . . . . 74.150000000000006 110.434 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.7 m-85 -81.87 13.45 3.27 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.505 1.122 . . . . 71.120000000000005 112.351 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 17.3 m -85.84 126.0 33.71 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.441 -0.577 . . . . 62.109999999999999 109.441 172.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -123.37 155.75 36.74 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.686 0.794 . . . . 70.040000000000006 109.84 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.59 105.56 7.62 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.333 -0.988 . . . . 64.329999999999998 108.333 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.95 144.98 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 108.657 -0.868 . . . . 63.5 108.657 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -98.08 -31.51 12.09 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.062 0.458 . . . . 50.310000000000002 110.069 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.581 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 22.6 m -99.47 139.99 34.32 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 61.439999999999998 109.444 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 36.7 mt-10 -66.98 -28.16 68.03 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.71 0.804 . . . . 34.109999999999999 111.328 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.485 ' H ' HG22 ' A' ' 33' ' ' THR . 33.6 t -64.23 -45.67 87.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.872 0.869 . . . . 55.329999999999998 110.685 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 51.7 mt-10 -57.85 -27.95 63.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.708 0.803 . . . . 73.340000000000003 111.139 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 40' ' ' VAL . 27.4 tp -70.87 -36.93 73.03 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.686 -0.688 . . . . 74.099999999999994 111.387 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.16 -32.94 73.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 63.219999999999999 110.127 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -73.46 -47.62 39.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.187 0.995 . . . . 62.310000000000002 111.091 177.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.7 p -65.87 -42.01 91.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 119.127 -0.463 . . . . 65.239999999999995 110.657 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 78' ' ' VAL . 3.1 mm? -64.8 -29.25 70.21 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.453 0.301 . . . . 75.120000000000005 111.806 177.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.55 -50.99 67.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.271 0.628 . . . . 70.200000000000003 110.581 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.46 -29.82 27.73 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.279 0.474 . . . . 52.409999999999997 112.279 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -69.66 -32.9 71.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.219 0.607 . . . . 73.349999999999994 109.819 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HG3' HG13 ' A' ' 78' ' ' VAL . 36.1 ttpt -49.94 -37.1 30.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.037 1.335 . . . . 73.439999999999998 112.082 175.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.16 -43.37 91.99 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.813 0.845 . . . . 72.0 111.088 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -72.88 -34.23 66.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.43 0.692 . . . . 71.439999999999998 110.486 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.625 HG23 ' HB2' ' A' ' 56' ' ' SER . 79.6 mt -68.94 -30.33 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 125.427 1.491 . . . . 75.349999999999994 110.432 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -85.22 -31.5 23.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.963 0.905 . . . . 61.509999999999998 110.303 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.28 -46.42 77.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.311 1.044 . . . . 70.310000000000002 109.868 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -101.04 -163.59 1.03 Allowed 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.04 -0.982 . . . . 64.299999999999997 108.925 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.96 59.76 6.2 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-O 119.84 -0.422 . . . . 34.229999999999997 113.178 176.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -55.63 -51.43 67.23 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.662 0.785 . . . . 64.450000000000003 111.913 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -81.21 -65.75 0.97 Allowed 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 55.25 108.678 172.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.72 165.89 35.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.561 0.696 . . . . 74.519999999999996 111.577 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.625 ' HB2' HG23 ' A' ' 48' ' ' ILE . 50.0 m -133.4 119.66 19.93 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.24 -1.393 . . . . 71.420000000000002 107.24 166.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -98.91 122.91 42.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.568 0.747 . . . . 64.129999999999995 110.844 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 m -102.25 143.29 32.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.223 0.609 . . . . 73.200000000000003 109.573 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -141.42 119.97 12.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.672 -1.233 . . . . 72.519999999999996 107.672 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.5 mt -124.91 139.28 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.048 0.939 . . . . 74.340000000000003 110.452 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -56.56 130.52 45.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.218 1.007 . . . . 70.530000000000001 111.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.07 133.45 35.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.031 0.932 . . . . 63.409999999999997 108.847 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 5.8 mmp_? -94.17 -40.48 10.01 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.865 -0.522 . . . . 71.230000000000004 110.975 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.445 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 67.9 p -122.61 171.46 9.12 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.893 0.877 . . . . 75.420000000000002 108.968 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -64.36 -30.09 71.15 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.453 0.301 . . . . 63.450000000000003 110.571 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -67.31 -31.31 71.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.49 0.716 . . . . 74.340000000000003 110.308 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 6.9 mm-40 -73.81 -40.07 63.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.685 0.755 . . . . 73.109999999999999 110.065 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.52 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -66.63 -38.07 86.14 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.581 -1.19 . . . . 54.450000000000003 111.964 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.04 -32.46 30.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.654 0.382 . . . . 74.129999999999995 111.642 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 64.6 pttt -69.26 -36.17 76.84 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.767 0.318 . . . . 70.450000000000003 110.207 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 17.1 m-30 -88.29 -17.23 31.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.214 0.605 . . . . 65.200000000000003 112.624 177.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HE1' ' A' ' 91' ' ' TRP . . . -58.42 -43.12 88.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.204 -0.665 . . . . 74.230000000000004 109.204 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.7 80.26 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.081 0.863 . . . . 73.0 111.936 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.83 -36.79 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.148 0.979 . . . . 72.319999999999993 111.051 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.11 -45.02 15.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.865 0.466 . . . . 73.340000000000003 111.334 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.17 -32.8 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.819 0.848 . . . . 54.509999999999998 111.074 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.32 86.46 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.586 0.754 . . . . 65.109999999999999 111.289 174.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 41' ' ' LEU . 37.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.851 0.861 . . . . 62.200000000000003 110.823 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.63 -29.07 69.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.813 0.845 . . . . 74.430000000000007 111.549 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.123 0.569 . . . . 62.039999999999999 110.879 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.99 -26.88 62.42 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.576 -0.738 . . . . 71.450000000000003 111.253 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 51.1 mt -73.95 -30.11 62.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.944 -0.391 . . . . 73.329999999999998 109.944 174.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 48.79 50.68 25.63 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 124.624 1.107 . . . . 54.210000000000001 115.596 170.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.7 -60.28 2.83 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 117.249 0.525 . . . . 72.200000000000003 109.952 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.28 -75.99 0.1 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.055 -0.72 . . . . 74.219999999999999 109.055 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -134.69 171.31 14.53 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.664 0.786 . . . . 74.099999999999994 109.018 -176.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.1 mm -108.7 124.45 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.327 0.651 . . . . 34.229999999999997 109.639 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 101' ' ' GLN . 46.9 t30 -98.68 112.15 24.3 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.795 -0.817 . . . . 52.350000000000001 108.795 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.2 p -108.35 138.94 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.715 -0.846 . . . . 72.150000000000006 108.715 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.6 m -144.46 125.2 14.17 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.808 0.843 . . . . 63.340000000000003 108.859 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.52 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 12.4 m-90 -99.95 106.84 18.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.451 0.7 . . . . 72.230000000000004 109.24 177.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.2 -24.05 65.81 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.667 0.787 . . . . 74.329999999999998 110.397 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.46 -61.62 0.31 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.985 -1.246 . . . . 64.530000000000001 109.985 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.89 -11.75 54.93 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.836 -0.682 . . . . 74.540000000000006 110.591 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 m -146.11 145.59 30.58 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.569 0.748 . . . . 65.129999999999995 109.542 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.71 133.28 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 108.747 -0.835 . . . . 74.310000000000002 108.747 166.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 m -135.02 121.07 19.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.115 0.566 . . . . 75.109999999999999 110.074 -174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.6 143.91 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.755 0.822 . . . . 74.120000000000005 109.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.4 168.27 24.63 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.617 1.167 . . . . 63.420000000000002 108.501 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.05 121.09 6.11 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-O 119.961 -0.355 . . . . 53.25 112.988 -177.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . 5.2 tp-100 -99.93 139.17 35.98 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.468 0.634 . . . . 72.349999999999994 109.74 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.0 tt -107.99 103.83 13.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.393 -1.706 . . . . 71.409999999999997 106.393 168.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.07 -160.89 1.16 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.824 0.849 . . . . 75.519999999999996 109.766 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.63 26.24 6.91 Favored Glycine 0 C--N 1.347 1.178 0 C-N-CA 123.013 0.34 . . . . 62.420000000000002 112.283 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.41 96.23 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 109.246 -0.65 . . . . 61.240000000000002 109.246 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 123.887 0.875 . . . . 65.219999999999999 109.124 -178.729 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 CA--C 1.55 0.964 0 CA-C-O 120.959 0.409 . . . . 75.409999999999997 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -76.56 78.42 3.25 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.492 0.663 . . . . 71.340000000000003 110.254 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -160.67 153.03 20.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.32 -1.363 . . . . 72.140000000000001 107.32 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -67.92 91.7 0.34 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.326 0.584 . . . . 61.32 110.675 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -110.17 144.4 38.87 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.767 -1.106 . . . . 72.349999999999994 109.462 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -134.97 122.71 22.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.391 0.677 . . . . 71.140000000000001 109.617 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -94.64 167.24 11.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.717 0.807 . . . . 64.409999999999997 109.909 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.16 -39.17 91.75 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.637 0.775 . . . . 70.439999999999998 109.35 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -71.91 110.52 6.47 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.279 -0.873 . . . . 74.439999999999998 109.958 171.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 63' ' ' ARG . . . -115.68 86.45 0.41 Allowed Glycine 0 N--CA 1.467 0.737 0 N-CA-C 109.673 -1.371 . . . . 50.100000000000001 109.673 175.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 145.96 54.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.571 0.748 . . . . 74.340000000000003 112.227 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.463 ' HB ' HG23 ' A' ' 31' ' ' VAL . 30.1 mt -78.2 103.45 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 114.301 -1.318 . . . . 73.329999999999998 109.374 -171.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -91.84 122.73 34.64 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 108.191 -1.04 . . . . 64.019999999999996 108.191 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG21 HD12 ' A' ' 37' ' ' LEU . 43.5 t -116.84 104.73 17.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 108.64 -0.874 . . . . 71.209999999999994 108.64 -175.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.0 108.2 18.84 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.981 -0.748 . . . . 75.129999999999995 108.981 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -102.82 109.98 21.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.324 -1.362 . . . . 60.149999999999999 107.324 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -103.74 118.28 36.34 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.523 -0.917 . . . . 74.310000000000002 108.523 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -99.94 120.01 39.13 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.603 0.761 . . . . 73.439999999999998 109.531 -168.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -92.31 109.48 20.86 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.01 -1.478 . . . . 61.409999999999997 107.01 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -131.92 134.88 46.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.297 0.639 . . . . 74.140000000000001 110.491 -165.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.47 -32.12 71.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.176 0.59 . . . . 63.539999999999999 109.836 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.42 -139.62 10.01 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.067 -0.97 . . . . 71.430000000000007 111.646 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -69.15 124.27 23.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.75 0.82 . . . . 61.310000000000002 111.201 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.0 p -98.22 153.75 18.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.376 1.07 . . . . 30.350000000000001 110.9 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -150.92 173.59 14.1 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.995 1.318 . . . . 72.319999999999993 109.646 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -124.36 114.92 20.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.177 -1.416 . . . . 73.140000000000001 107.177 162.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -81.35 85.5 6.42 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.986 0.515 . . . . 63.310000000000002 109.881 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 36.9 m -93.65 124.48 37.68 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.256 175.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.51 164.0 16.44 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 124.711 1.205 . . . . 75.239999999999995 108.612 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.2 m -127.94 104.79 8.0 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 37' ' ' LEU . 29.0 m -109.35 157.19 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 108.696 -0.853 . . . . 70.340000000000003 108.696 173.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.0 t -114.99 -9.41 12.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.303 0.641 . . . . 64.430000000000007 109.932 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.2 m -141.71 150.28 41.63 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 124.106 0.963 . . . . 62.119999999999997 109.924 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.7 -33.51 72.63 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.719 1.208 . . . . 71.049999999999997 111.805 -175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 p -58.96 -49.41 77.96 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.516 0.51 . . . . 63.109999999999999 110.028 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.36 -40.37 96.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.054 -0.975 . . . . 74.329999999999998 110.507 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.504 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.44 -47.51 81.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.576 1.15 . . . . 74.5 112.047 177.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.25 -31.38 70.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.063 0.545 . . . . 75.400000000000006 111.266 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HE2' ' N ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -70.42 -37.4 74.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.691 -0.485 . . . . 74.329999999999998 109.691 173.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.2 t -61.34 -39.19 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 O-C-N 123.724 0.64 . . . . 62.43 109.874 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.9 mm? -68.36 -32.99 73.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.221 0.608 . . . . 71.219999999999999 111.947 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.36 -47.97 74.58 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.551 0.74 . . . . 75.0 110.788 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.05 -39.65 65.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.914 -0.585 . . . . 71.219999999999999 110.73 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.69 -38.8 91.82 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.51 1.124 . . . . 43.100000000000001 110.808 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.7 ttpt -49.08 -44.26 41.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.15 1.38 . . . . 71.219999999999999 111.429 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.98 -45.21 82.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.636 -1.165 . . . . 62.350000000000001 110.718 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -63.07 -54.93 30.34 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.362 0.665 . . . . 72.239999999999995 111.825 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -44.79 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.402 1.081 . . . . 73.239999999999995 111.128 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HB2' HD22 ' A' ' 82' ' ' LEU . 80.9 tttt -68.56 -40.5 80.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.268 -0.878 . . . . 73.140000000000001 110.918 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.43 -44.29 71.64 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.86 0.864 . . . . 70.140000000000001 111.08 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -62.76 147.48 49.65 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.857 0.723 . . . . 73.439999999999998 110.385 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.16 69.5 1.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 111.147 -0.781 . . . . 64.25 111.147 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 59.8 m -124.5 135.53 53.28 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.836 1.254 . . . . 71.040000000000006 109.14 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HB3' HD11 ' A' ' 102' ' ' LEU . 49.8 mtmt -67.34 -52.74 36.51 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.051 0.844 . . . . 64.439999999999998 109.325 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 167.91 28.73 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.792 -0.64 . . . . 61.109999999999999 110.513 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.6 p -124.66 157.5 35.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.923 0.889 . . . . 54.439999999999998 109.509 173.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -127.77 109.95 12.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.785 0.834 . . . . 70.010000000000005 109.265 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.5 m -93.65 134.68 35.7 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.326 -0.62 . . . . 75.129999999999995 109.326 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 m -126.52 119.54 27.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.105 -1.072 . . . . 74.200000000000003 108.105 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.524 HG21 ' CD2' ' A' ' 71' ' ' PHE . 63.0 mt -121.2 134.16 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.786 0.834 . . . . 64.150000000000006 109.816 -173.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -59.7 122.1 13.3 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.0 0.812 . . . . 75.400000000000006 110.889 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.09 99.95 5.25 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.502 1.121 . . . . 74.0 108.414 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' HD3' ' HA3' ' A' ' 10' ' ' GLY . 68.8 mtm180 -86.18 -41.67 14.49 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.117 0.967 . . . . 72.510000000000005 109.401 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.6 p -104.31 155.23 18.93 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 114.9 -1.046 . . . . 73.299999999999997 109.646 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.25 -27.26 68.93 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.891 -0.595 . . . . 73.030000000000001 110.65 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 59.0 mmtt -64.21 -38.28 90.47 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 123.531 0.519 . . . . 60.020000000000003 111.608 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.98 -47.43 77.6 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.529 0.518 . . . . 71.340000000000003 109.744 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.56 -37.5 70.63 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 115.75 -0.659 . . . . 60.350000000000001 111.936 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -73.3 -59.55 2.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.098 0.959 . . . . 71.319999999999993 111.165 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 71' ' ' PHE . 57.0 pttt -68.27 -38.81 82.1 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.119 -0.491 . . . . 75.430000000000007 112.144 -169.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 60' ' ' ILE . 35.9 m-85 -68.28 -33.03 73.61 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.502 0.321 . . . . 74.200000000000003 110.804 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.422 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -58.38 -44.02 88.74 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 123.557 0.536 . . . . 72.540000000000006 110.403 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -60.92 -48.08 83.48 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.957 0.786 . . . . 72.430000000000007 110.881 176.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.02 -36.85 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.724 1.21 . . . . 72.420000000000002 111.174 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 95.9 mt -74.37 -46.42 40.65 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.17 0.588 . . . . 72.530000000000001 111.124 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.686 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -57.48 -37.72 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 123.461 0.704 . . . . 73.5 111.237 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 61.6 mtpt -61.36 -48.78 79.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.657 0.783 . . . . 60.310000000000002 110.99 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' LEU . 76.7 t -69.56 -42.26 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.014 0.925 . . . . 64.329999999999998 111.24 -177.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -69.34 -25.17 64.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.621 0.768 . . . . 73.150000000000006 112.082 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.21 77.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.186 0.595 . . . . 60.420000000000002 110.384 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.02 -25.54 64.54 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.346 -0.843 . . . . 64.319999999999993 111.158 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 49' ' ' LYS . 43.4 mt -96.08 -26.0 15.68 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.831 0.853 . . . . 64.430000000000007 111.893 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -114.68 -80.26 0.9 Allowed Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.958 -0.857 . . . . 63.539999999999999 110.958 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -171.37 -66.15 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.989 0.916 . . . . 74.200000000000003 109.087 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -176.32 -39.54 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.144 0.977 . . . . 75.329999999999998 108.83 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.17 92.53 1.75 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.093 -0.958 . . . . 45.43 109.888 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.37 146.31 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.619 0.767 . . . . 73.219999999999999 109.546 -177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -87.57 110.72 20.57 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.359 -0.608 . . . . 61.049999999999997 109.359 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.686 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.1 p -105.91 126.96 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.529 -0.915 . . . . 73.129999999999995 108.529 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.5 m -141.14 113.26 7.91 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.012 -0.736 . . . . 73.5 109.012 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -80.43 105.12 11.44 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 109.433 -0.58 . . . . 73.010000000000005 109.433 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.96 -27.09 68.9 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.054 0.942 . . . . 74.439999999999998 111.484 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.8 -80.24 0.33 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.232 -1.147 . . . . 43.210000000000001 110.232 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.1 -9.03 58.28 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.094 0.558 . . . . 63.210000000000001 110.836 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -142.43 144.7 33.19 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.425 1.09 . . . . 55.530000000000001 108.925 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -98.26 131.78 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 108.436 -0.95 . . . . 61.310000000000002 108.436 166.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.8 m -122.97 129.59 51.74 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.671 0.788 . . . . 62.130000000000003 109.716 -177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.42 130.58 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.972 . . . . 30.199999999999999 108.776 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -132.94 143.53 49.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.082 0.953 . . . . 64.010000000000005 109.695 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.57 153.83 44.81 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 111.85 -0.5 . . . . 71.420000000000002 111.85 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.56 135.35 54.0 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.014 0.526 . . . . 65.329999999999998 110.436 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.421 HD11 ' HB3' ' A' ' 54' ' ' LYS . 3.1 mm? -77.31 104.26 7.72 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.29 -1.004 . . . . 70.430000000000007 108.29 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.26 145.34 50.81 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.399 0.68 . . . . 72.140000000000001 110.235 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.8 54.87 0.36 Allowed Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.775 -0.53 . . . . 71.510000000000005 111.775 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.81 122.17 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 C-N-CA 123.185 0.594 . . . . 73.010000000000005 110.102 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.25 1.13 0 N-CA-C 108.359 -0.978 . . . . 73.439999999999998 108.359 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.505 -0.554 . . . . 75.120000000000005 109.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.5 t60 58.3 42.1 22.23 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.7 1.2 . . . . 60.439999999999998 111.291 175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -112.2 2.39 16.63 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.693 0.797 . . . . 72.25 111.325 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.07 -33.04 74.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.328 0.651 . . . . 75.310000000000002 111.516 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -70.83 135.84 48.34 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 116.204 -0.453 . . . . 73.530000000000001 110.132 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -113.27 134.05 54.79 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.096 0.558 . . . . 75.420000000000002 110.646 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -147.34 -27.15 0.38 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.672 0.789 . . . . 74.209999999999994 109.728 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -63.05 -50.68 69.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.595 0.758 . . . . 73.219999999999999 109.388 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.522 ' HA ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 t -153.86 168.71 25.43 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.993 -1.003 . . . . 72.439999999999998 108.986 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.33 -177.81 23.37 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 111.287 -0.725 . . . . 63.43 111.287 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.2 120.07 17.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.044 -0.724 . . . . 73.120000000000005 109.044 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.22 105.26 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 115.766 -0.652 . . . . 75.010000000000005 110.281 -172.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -85.37 111.28 19.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.88 0.872 . . . . 73.420000000000002 109.202 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -92.14 108.75 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 107.984 -1.117 . . . . 72.150000000000006 107.984 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -101.94 111.26 23.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.757 0.823 . . . . 71.219999999999999 109.969 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.65 114.43 28.69 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.539 -0.912 . . . . 73.430000000000007 108.539 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . 26.4 t-20 -103.02 125.16 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.774 0.83 . . . . 74.010000000000005 109.033 174.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -143.77 123.06 13.03 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.198 -1.038 . . . . 71.450000000000003 108.198 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.646 ' H ' ' HB3' ' A' ' 55' ' ' ARG . 18.0 m -130.96 113.18 13.67 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.407 -0.96 . . . . 71.230000000000004 108.407 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.06 -53.62 2.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.246 0.618 . . . . 72.329999999999998 110.399 -170.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -130.14 -71.37 0.6 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.137 0.975 . . . . 64.310000000000002 109.012 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.63 -86.13 0.09 OUTLIER Glycine 0 C--N 1.349 1.266 0 N-CA-C 111.292 -0.723 . . . . 72.349999999999994 111.292 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -76.11 141.44 41.96 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.931 0.492 . . . . 70.519999999999996 109.972 177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 t -165.62 164.64 19.14 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.807 -0.633 . . . . 73.019999999999996 110.083 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.13 111.2 19.91 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 123.66 0.784 . . . . 73.109999999999999 109.533 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.92 107.07 10.19 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.306 -0.998 . . . . 74.230000000000004 108.306 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -75.58 79.01 2.58 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.429 0.633 . . . . 64.219999999999999 110.123 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -86.58 129.14 34.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.446 -0.797 . . . . 71.299999999999997 110.183 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -111.97 149.58 31.77 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.947 0.899 . . . . 74.439999999999998 109.0 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.9 m -129.4 105.02 7.83 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.117 -1.068 . . . . 72.450000000000003 108.117 173.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.26 132.65 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.566 0.746 . . . . 71.409999999999997 109.671 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.9 t -88.89 -17.04 30.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.106 0.562 . . . . 61.200000000000003 110.566 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 35' ' ' SER . 24.7 m -129.32 144.36 51.2 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.86 0.864 . . . . 64.019999999999996 109.976 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.03 -24.42 67.48 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.394 1.078 . . . . 72.150000000000006 112.62 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 33' ' ' THR . 53.0 p -61.71 -52.54 63.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.775 0.43 . . . . 72.230000000000004 110.194 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.833 0.853 . . . . 54.240000000000002 111.609 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 60' ' ' ILE . 2.4 tt -58.52 -47.01 85.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.993 0.917 . . . . 71.030000000000001 109.451 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -57.95 -47.63 82.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.237 -0.892 . . . . 65.200000000000003 109.837 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.67 -50.72 71.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.135 0.574 . . . . 73.200000000000003 111.272 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.407 HG23 HD22 ' A' ' 41' ' ' LEU . 34.4 m -60.83 -24.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 N-CA-C 112.458 0.54 . . . . 62.229999999999997 112.458 -171.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.601 ' HG ' HG22 ' A' ' 74' ' ' ILE . 4.4 mm? -78.37 -36.43 46.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.031 0.532 . . . . 74.430000000000007 111.86 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -64.32 -41.54 96.76 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 110.002 -0.37 . . . . 65.450000000000003 110.002 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -70.96 -44.49 65.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.763 0.664 . . . . 65.530000000000001 109.641 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.01 -40.25 76.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.103 0.961 . . . . 70.510000000000005 111.822 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 36.3 ttpt -54.82 -37.39 66.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.052 0.845 . . . . 73.540000000000006 111.483 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.68 -47.92 81.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.683 0.793 . . . . 42.439999999999998 110.481 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -65.07 -41.98 94.6 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.859 0.724 . . . . 73.25 111.39 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.44 -41.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.291 0.636 . . . . 70.200000000000003 110.456 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -79.93 -19.98 46.78 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.735 0.414 . . . . 70.200000000000003 111.315 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -68.4 -42.57 78.83 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.355 0.598 . . . . 71.109999999999999 109.608 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -89.06 116.27 27.21 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.016 -0.993 . . . . 52.240000000000002 110.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.17 70.01 1.05 Allowed Glycine 0 N--CA 1.471 0.977 0 N-CA-C 111.391 -0.684 . . . . 52.340000000000003 111.391 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.7 157.18 16.29 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.719 0.808 . . . . 62.329999999999998 110.629 -168.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -94.94 -6.74 41.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.317 0.647 . . . . 72.519999999999996 111.461 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.646 ' HB3' ' H ' ' A' ' 19' ' ' THR . 15.0 tpp180 -136.59 124.09 22.18 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.623 0.769 . . . . 74.230000000000004 109.03 175.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -125.06 108.78 12.17 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.066 -1.087 . . . . 74.439999999999998 108.066 170.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 37.5 ttm180 -133.9 132.73 40.63 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.556 -1.275 . . . . 74.219999999999999 107.556 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.4 m -140.64 145.19 36.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.665 -0.865 . . . . 70.200000000000003 108.665 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -145.17 157.1 44.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.932 0.893 . . . . 72.230000000000004 109.115 -168.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.418 HD13 HD21 ' A' ' 37' ' ' LEU . 81.1 mt -143.15 131.51 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.91 0.884 . . . . 54.409999999999997 109.24 -174.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 m -62.14 136.4 57.93 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 123.578 0.549 . . . . 64.439999999999998 110.804 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.17 103.75 4.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.045 0.938 . . . . 63.350000000000001 109.203 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 11.5 mmm180 -65.9 -28.25 68.8 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.011 0.434 . . . . 73.540000000000006 110.613 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -130.89 160.86 33.22 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.013 0.925 . . . . 64.209999999999994 109.375 172.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 31.9 ttpt -64.79 -30.06 71.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.608 0.363 . . . . 72.230000000000004 110.817 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -34.78 71.74 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 117.95 0.341 . . . . 71.540000000000006 110.576 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 42.0 mt-10 -68.86 -43.13 76.05 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.686 -0.688 . . . . 62.020000000000003 110.422 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.26 69.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.298 0.639 . . . . 42.32 112.215 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 8.4 mm-40 -78.55 -52.51 8.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.934 0.494 . . . . 73.319999999999993 111.101 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 59.3 pttt -67.29 -29.98 69.72 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.027 0.441 . . . . 64.109999999999999 111.335 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 19.6 m-30 -89.03 -17.73 28.77 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.396 0.678 . . . . 72.109999999999999 112.4 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.98 -43.82 82.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.036 -0.728 . . . . 74.140000000000001 109.036 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.89 74.99 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.14 -0.936 . . . . 64.329999999999998 112.032 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.601 HG22 ' HG ' ' A' ' 41' ' ' LEU . 63.1 mt -62.25 -38.09 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.918 0.887 . . . . 73.239999999999995 110.735 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.68 -39.93 56.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.183 0.593 . . . . 74.239999999999995 111.173 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.13 -35.57 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 123.858 0.863 . . . . 73.420000000000002 111.063 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.444 ' HA ' ' HE3' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -59.02 -33.25 70.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.514 0.726 . . . . 55.229999999999997 111.856 177.35 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG21 HD12 ' A' ' 41' ' ' LEU . 91.9 t -72.98 -57.58 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.442 0.697 . . . . 72.019999999999996 110.411 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.83 -21.85 62.4 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.861 0.689 . . . . 61.130000000000003 112.861 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.67 74.24 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.926 0.491 . . . . 70.239999999999995 110.442 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 7.3 mm-40 -87.1 -18.15 31.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.414 0.685 . . . . 73.030000000000001 111.326 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.3 mt -87.59 -12.61 45.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.174 0.59 . . . . 72.239999999999995 111.476 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.46 -154.95 7.56 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 121.933 -0.175 . . . . 54.329999999999998 113.478 178.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -97.48 -61.07 1.45 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.713 0.805 . . . . 74.510000000000005 109.357 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -145.36 44.31 1.31 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.889 1.328 . . . . 73.340000000000003 107.867 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.85 28.83 0.76 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.891 -1.504 . . . . 73.420000000000002 111.075 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.2 mm -84.79 119.76 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.224 -1.028 . . . . 74.340000000000003 108.224 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.1 t30 -124.37 104.15 8.61 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.859 -1.163 . . . . 64.450000000000003 107.859 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.56 139.12 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 109.524 -0.546 . . . . 73.230000000000004 109.524 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.7 m -146.05 129.22 16.62 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.804 1.242 . . . . 74.120000000000005 108.011 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.9 m-90 -102.58 112.09 24.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 71.230000000000004 109.443 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.66 0.47 55.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.889 0.876 . . . . 72.319999999999993 110.856 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.93 -78.63 1.0 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.874 -0.89 . . . . 63.310000000000002 110.874 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 -17.07 61.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.867 0.867 . . . . 63.020000000000003 111.275 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 m -145.55 146.23 31.32 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.877 0.871 . . . . 73.219999999999999 109.764 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.26 140.64 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.975 -0.75 . . . . 62.210000000000001 108.975 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.9 m -133.47 125.12 28.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.319 0.648 . . . . 54.25 110.26 -175.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 88' ' ' ASN . 96.8 t -117.38 123.78 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 62.009999999999998 109.494 170.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -114.75 166.27 11.93 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.488 1.115 . . . . 75.329999999999998 108.607 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.8 130.89 10.48 Favored Glycine 0 C--N 1.346 1.126 0 CA-C-O 119.747 -0.474 . . . . 73.310000000000002 112.682 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' HG3' ' HB2' ' A' ' 88' ' ' ASN . 97.0 mt-30 -116.06 107.68 15.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.279 0.632 . . . . 64.299999999999997 109.311 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.17 103.93 12.13 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.687 -1.227 . . . . 63.539999999999999 107.687 173.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.01 120.73 22.52 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 108.483 -0.932 . . . . 62.32 108.483 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.78 90.86 0.25 Allowed Glycine 0 C--N 1.349 1.267 0 O-C-N 123.807 0.692 . . . . 75.25 112.205 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.6 153.59 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.888 0.875 . . . . 74.430000000000007 110.993 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.798 -0.62 . . . . 63.130000000000003 109.935 179.525 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 108.687 -0.857 . . . . 53.310000000000002 108.687 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -77.55 136.33 38.28 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.788 -0.819 . . . . 64.439999999999998 108.788 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -101.81 -173.78 2.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.263 0.625 . . . . 73.450000000000003 110.245 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 7' ' ' HIS . 21.2 m170 -64.73 141.41 58.78 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.499 -0.773 . . . . 75.439999999999998 109.101 171.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -70.36 -26.56 63.79 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.425 0.69 . . . . 71.450000000000003 111.377 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -79.27 -24.04 43.22 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.32 0.648 . . . . 75.0 110.505 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 4' ' ' HIS . 50.7 t60 -74.11 -9.95 59.13 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.515 0.726 . . . . 62.549999999999997 110.917 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -69.26 -5.36 22.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.115 0.566 . . . . 75.099999999999994 111.777 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -86.96 93.73 9.41 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.367 -0.975 . . . . 51.020000000000003 108.367 168.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.34 43.92 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.331 -0.395 . . . . 32.5 112.788 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.02 153.41 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.305 1.042 . . . . 54.109999999999999 111.927 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.583 HG21 HD22 ' A' ' 37' ' ' LEU . 55.7 mt -88.86 107.71 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 115.295 -0.866 . . . . 72.109999999999999 109.82 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.87 141.51 33.33 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.952 0.501 . . . . 75.340000000000003 110.182 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 47.8 t -128.28 127.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.122 0.969 . . . . 73.230000000000004 109.33 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -135.06 118.14 16.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.371 0.668 . . . . 62.399999999999999 110.509 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.766 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 25.3 t-20 -105.16 113.0 26.33 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.78 -1.193 . . . . 63.030000000000001 107.78 168.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.59 123.76 48.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.672 -0.862 . . . . 75.239999999999995 108.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 56' ' ' SER . 51.7 t-20 -136.2 116.6 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.439 -1.319 . . . . 70.150000000000006 107.439 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.5 m -93.62 109.58 21.2 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.074 -1.084 . . . . 71.430000000000007 108.074 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.4 t -171.74 107.48 0.23 Allowed 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.902 0.752 . . . . 61.420000000000002 108.973 -171.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -66.03 153.41 42.29 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.493 0.717 . . . . 61.130000000000003 110.128 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.21 -38.84 3.13 Favored Glycine 0 N--CA 1.471 1.005 0 N-CA-C 110.095 -1.202 . . . . 61.130000000000003 110.095 -167.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.5 99.46 0.7 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 71.040000000000006 109.047 170.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 p -97.0 62.79 1.86 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.915 0.886 . . . . 73.409999999999997 109.637 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -100.09 135.32 41.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.374 0.669 . . . . 75.420000000000002 110.684 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -95.83 123.34 39.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.136 0.974 . . . . 73.109999999999999 109.852 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.766 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.9 m-85 -90.65 80.69 5.93 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.438 0.637 . . . . 74.109999999999999 109.937 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 m -93.18 121.05 34.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.781 -1.099 . . . . 72.239999999999995 109.629 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 75.6 m-85 -132.62 155.97 47.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.74 0.816 . . . . 61.329999999999998 108.934 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.4 m -130.87 106.89 8.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.615 -1.254 . . . . 51.409999999999997 107.615 169.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 12' ' ' ILE . 19.6 m -103.26 133.17 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.221 0.609 . . . . 75.349999999999994 109.477 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -86.7 -12.25 48.86 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.587 -0.733 . . . . 73.049999999999997 111.43 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 35' ' ' SER . 31.3 m -140.73 149.24 41.91 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.321 0.648 . . . . 61.409999999999997 110.014 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.98 -28.28 67.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.176 0.99 . . . . 73.219999999999999 110.628 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.583 ' H ' HG22 ' A' ' 33' ' ' THR . 11.5 m -64.26 -48.07 77.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.179 0.992 . . . . 53.520000000000003 110.131 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.35 -30.13 70.94 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.47 0.708 . . . . 74.349999999999994 110.851 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.583 HD22 HG21 ' A' ' 12' ' ' ILE . 37.4 tp -67.74 -38.76 83.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.629 0.772 . . . . 71.420000000000002 111.142 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -64.77 -51.72 60.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.218 -0.66 . . . . 63.32 109.218 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -57.86 -46.24 85.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.677 1.191 . . . . 54.119999999999997 112.305 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.86 -35.36 69.07 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 CA-C-O 119.136 -0.459 . . . . 45.039999999999999 110.532 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.594 HD12 HG21 ' A' ' 78' ' ' VAL . 3.4 mm? -73.97 -29.65 62.1 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.022 0.529 . . . . 54.43 111.731 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.29 -47.74 84.26 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.65 0.593 . . . . 62.310000000000002 109.839 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.99 -32.72 39.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.531 0.52 . . . . 72.150000000000006 111.598 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 30.0 tp -61.33 -28.85 69.51 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.187 0.595 . . . . 74.310000000000002 110.758 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -46.38 -46.34 18.41 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.978 1.311 . . . . 74.239999999999995 112.654 173.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 31.2 t70 -65.25 -42.65 93.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.596 1.159 . . . . 70.420000000000002 110.956 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB2' HD12 ' A' ' 44' ' ' LEU . 96.1 m-85 -66.25 -44.38 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.078 0.951 . . . . 74.299999999999997 111.797 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.75 -40.05 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.717 1.207 . . . . 72.010000000000005 109.947 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -67.41 -29.0 68.38 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.969 0.907 . . . . 71.140000000000001 111.718 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 65.1 mttm -61.99 -44.11 97.43 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.322 0.649 . . . . 73.540000000000006 110.744 175.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -101.23 0.96 38.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.995 0.918 . . . . 71.209999999999994 111.707 -176.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.4 58.37 5.0 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 122.894 0.283 . . . . 63.200000000000003 112.872 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.37 -43.86 59.81 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.388 0.675 . . . . 41.210000000000001 110.603 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -113.06 -70.81 0.78 Allowed 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.432 0.693 . . . . 61.310000000000002 109.763 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -154.28 159.74 41.41 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.058 0.543 . . . . 73.340000000000003 110.881 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.471 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . 32.9 p -131.76 143.23 50.08 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.777 0.831 . . . . 64.109999999999999 108.935 172.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -120.82 110.13 15.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.382 1.073 . . . . 73.25 108.608 -175.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -107.43 118.25 36.24 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.731 -0.47 . . . . 72.040000000000006 109.731 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -109.71 120.47 42.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.901 0.881 . . . . 65.010000000000005 108.944 175.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.423 HD13 HD11 ' A' ' 37' ' ' LEU . 64.3 mt -112.59 127.83 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.835 -0.802 . . . . 74.129999999999995 108.835 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -66.73 101.57 0.82 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.138 0.575 . . . . 70.409999999999997 109.575 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 67' ' ' GLU . . . -99.73 121.55 41.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.652 -1.24 . . . . 64.030000000000001 107.652 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.0 -30.38 69.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.839 -0.619 . . . . 74.409999999999997 112.56 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 69.3 p -131.61 170.96 14.03 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.891 . . . . 43.340000000000003 108.859 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -28.28 69.45 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 110.683 171.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.89 -44.67 91.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.369 1.067 . . . . 72.129999999999995 110.228 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.7 mm-40 -64.84 -42.33 95.0 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.757 -0.656 . . . . 74.109999999999999 110.081 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 91' ' ' TRP . . . -64.48 -24.62 67.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.5 0.926 . . . . 71.540000000000006 113.5 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.83 -48.81 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.31 0.644 . . . . 61.210000000000001 111.853 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 52.6 pttt -77.52 -25.42 50.22 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.997 -0.547 . . . . 71.030000000000001 111.036 -175.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 13.4 m-30 -86.0 -19.44 30.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.736 0.415 . . . . 74.209999999999994 110.993 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.504 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.07 -46.03 90.91 Favored 'General case' 0 C--O 1.205 -1.289 0 N-CA-C 108.158 -1.052 . . . . 61.100000000000001 108.158 164.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.65 82.71 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.066 0.547 . . . . 43.520000000000003 112.355 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.42 HG22 ' HG ' ' A' ' 41' ' ' LEU . 48.2 mt -58.32 -49.25 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 123.923 0.889 . . . . 73.219999999999999 110.981 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.91 -40.76 68.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.541 0.736 . . . . 73.120000000000005 112.386 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 89' ' ' VAL . 1.3 mp -63.53 -34.66 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.593 0.757 . . . . 70.299999999999997 110.371 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -47.29 86.34 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.379 0.672 . . . . 61.420000000000002 110.368 175.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.594 HG21 HD12 ' A' ' 41' ' ' LEU . 49.8 t -56.62 -61.06 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.311 1.007 . . . . 62.439999999999998 111.246 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -67.63 -30.23 69.75 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.2 0.6 . . . . 71.219999999999999 112.421 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.95 85.76 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.762 0.425 . . . . 75.420000000000002 110.715 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -37.01 82.74 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.175 -0.92 . . . . 74.239999999999995 110.721 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.7 mt -69.65 -25.29 63.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.278 0.631 . . . . 71.219999999999999 112.054 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.41 -108.02 0.29 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-O 120.054 -0.303 . . . . 62.119999999999997 112.658 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -108.82 155.02 21.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.669 0.788 . . . . 73.420000000000002 109.76 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -80.27 63.94 4.92 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.429 1.091 . . . . 74.040000000000006 111.335 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -161.15 95.63 1.05 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.491 -1.3 . . . . 65.540000000000006 107.491 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.565 ' HB ' HG13 ' A' ' 76' ' ' ILE . 23.1 mm -119.72 147.49 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.07 0.548 . . . . 75.430000000000007 110.838 -163.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -88.62 118.03 28.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.281 0.632 . . . . 73.319999999999993 109.946 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 76' ' ' ILE . 3.9 t -115.81 133.84 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.206 1.002 . . . . 61.43 109.408 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.9 m -141.87 124.67 16.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.597 -0.89 . . . . 73.439999999999998 108.597 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.402 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 19.3 m-90 -98.7 148.05 24.25 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.587 -0.523 . . . . 73.5 109.587 174.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.59 113.46 4.15 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.58 -0.896 . . . . 72.019999999999996 108.58 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.02 46.46 92.56 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 116.065 -0.516 . . . . 72.400000000000006 112.911 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 7.8 m-20 65.54 7.99 4.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.086 1.354 . . . . 72.109999999999999 113.267 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -96.96 126.36 42.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.401 -0.963 . . . . 71.340000000000003 108.401 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -90.96 108.73 20.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 121.727 0.775 . . . . 75.340000000000003 109.394 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.1 m -107.52 105.29 15.12 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.604 -1.18 . . . . 71.150000000000006 109.194 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 68.3 t -111.73 110.35 31.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 123.866 0.866 . . . . 72.129999999999995 108.855 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 56' ' ' SER . 41.2 tt0 -115.75 117.49 30.39 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 123.57 0.748 . . . . 64.040000000000006 109.858 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.45 -155.96 27.45 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.93 0.769 . . . . 75.200000000000003 113.22 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -106.16 164.93 11.6 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.91 0.884 . . . . 71.099999999999994 109.32 171.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 tp -69.27 103.31 1.92 Allowed 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.506 0.504 . . . . 62.240000000000002 109.828 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -81.33 -35.61 30.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.422 -0.808 . . . . 43.32 109.943 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.37 83.08 1.64 Allowed Glycine 0 C--N 1.349 1.282 0 N-CA-C 110.819 -0.913 . . . . 75.430000000000007 110.819 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.1 t -72.1 78.8 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 75.530000000000001 109.479 -173.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.481 1.113 . . . . 73.25 108.029 -173.41 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.661 -0.496 . . . . 75.010000000000005 109.661 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -69.57 97.08 0.99 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.888 0.475 . . . . 64.409999999999997 109.891 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.62 147.92 48.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.205 -0.907 . . . . 74.439999999999998 112.212 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -120.63 115.26 23.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.643 0.777 . . . . 74.239999999999995 109.103 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -147.14 -62.22 0.28 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.708 0.803 . . . . 73.409999999999997 109.423 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -127.74 50.86 1.99 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.457 0.646 . . . . 74.420000000000002 110.31 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -99.67 29.99 3.84 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.196 -0.911 . . . . 73.549999999999997 108.784 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -157.22 140.93 15.92 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.053 -1.091 . . . . 74.519999999999996 108.053 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.0 t -67.61 172.55 5.03 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.741 0.816 . . . . 73.109999999999999 111.433 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.18 66.34 2.57 Favored Glycine 0 C--N 1.347 1.15 0 N-CA-C 111.238 -0.745 . . . . 71.420000000000002 111.238 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.46 119.98 18.44 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.747 0.819 . . . . 65.230000000000004 109.566 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 37' ' ' LEU . 44.9 mt -80.93 103.22 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.496 -1.229 . . . . 71.409999999999997 108.999 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' H ' ' HB ' ' A' ' 61' ' ' THR . 60.7 tt0 -87.38 113.32 22.98 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.567 0.747 . . . . 75.420000000000002 109.222 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.53 106.55 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.373 1.069 . . . . 71.099999999999994 108.257 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -108.47 143.13 37.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.918 0.887 . . . . 72.129999999999995 109.178 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.56 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.9 t-20 -146.15 116.35 7.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.123 -1.066 . . . . 73.450000000000003 108.123 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -101.95 111.85 24.26 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.343 1.057 . . . . 71.510000000000005 108.308 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.99 116.94 31.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.994 -1.113 . . . . 70.439999999999998 107.994 -175.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -103.85 114.3 28.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.903 -0.406 . . . . 64.120000000000005 109.903 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 m -130.82 -78.32 0.53 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.687 0.795 . . . . 74.310000000000002 110.135 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -167.84 133.4 1.94 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.028 -0.73 . . . . 73.420000000000002 109.028 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.73 -90.74 0.21 Allowed Glycine 0 C--N 1.346 1.102 0 O-C-N 123.66 0.6 . . . . 61.399999999999999 112.461 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 142.37 24.01 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.186 0.594 . . . . 75.200000000000003 110.541 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -129.52 172.28 11.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.468 1.107 . . . . 65.230000000000004 110.251 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -92.82 90.34 6.98 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 123.453 0.701 . . . . 75.019999999999996 109.172 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -73.19 135.26 44.58 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.071 -0.968 . . . . 71.319999999999993 110.235 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.1 m-85 -81.67 129.49 34.72 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.5 0.72 . . . . 71.400000000000006 111.077 -173.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.7 m -139.44 122.08 16.34 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.356 0.662 . . . . 64.420000000000002 110.423 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -123.04 156.05 35.63 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.33 1.052 . . . . 73.209999999999994 108.783 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.3 m -132.45 112.2 11.93 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.968 -0.752 . . . . 75.299999999999997 108.968 172.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -116.11 143.16 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 109.067 -0.716 . . . . 73.400000000000006 109.067 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 t -104.02 16.07 27.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.061 0.544 . . . . 65.299999999999997 109.671 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.565 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 9.3 m -145.63 142.16 28.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.103 0.561 . . . . 61.310000000000002 109.976 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.39 -31.65 58.1 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.431 1.092 . . . . 73.040000000000006 111.007 -172.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -62.41 -38.46 89.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.385 -0.825 . . . . 71.150000000000006 110.42 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.565 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 29.1 mm-40 -67.1 -23.98 65.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.507 -0.77 . . . . 74.239999999999995 111.968 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 12' ' ' ILE . 65.3 mt -59.08 -42.68 91.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.469 0.708 . . . . 74.319999999999993 111.187 171.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -59.6 -53.93 52.37 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.319 0.647 . . . . 73.319999999999993 110.245 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.68 -45.73 88.77 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.527 0.331 . . . . 74.239999999999995 111.595 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 37' ' ' LEU . 3.2 p -72.81 -22.27 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 116.53 -0.304 . . . . 74.510000000000005 111.303 -171.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -84.58 -22.58 30.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.078 0.551 . . . . 70.319999999999993 111.812 173.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -64.3 -49.45 71.73 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.869 0.467 . . . . 65.439999999999998 110.241 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.31 -46.63 69.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.708 -0.678 . . . . 73.120000000000005 110.712 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.72 -28.64 70.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.678 0.791 . . . . 72.150000000000006 111.892 -173.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG3' HD21 ' A' ' 82' ' ' LEU . 19.6 ttpp -49.77 -51.11 41.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.8 1.24 . . . . 62.130000000000003 112.251 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.51 -31.18 63.57 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.181 -0.918 . . . . 63.5 111.409 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -70.68 -44.48 66.92 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.052 0.541 . . . . 71.040000000000006 110.793 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.53 -40.45 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.625 1.17 . . . . 72.140000000000001 110.123 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.6 tttt -56.4 -48.61 76.57 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.071 0.948 . . . . 70.400000000000006 111.262 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -72.55 -44.34 62.26 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 114.772 -1.104 . . . . 63.549999999999997 111.156 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -82.1 -5.37 58.36 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.01 0.924 . . . . 75.510000000000005 111.093 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.56 75.06 2.02 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.355 -0.698 . . . . 63.530000000000001 111.355 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 m -61.03 -39.18 88.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.14 0.976 . . . . 71.200000000000003 111.272 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -145.88 -60.7 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.648 -0.706 . . . . 63.130000000000003 109.327 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -138.15 154.67 49.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.187 0.595 . . . . 75.230000000000004 111.082 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 p -138.44 117.02 12.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.429 1.091 . . . . 72.129999999999995 109.594 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 99' ' ' GLU . 31.1 ttp-105 -92.84 109.17 20.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.648 0.779 . . . . 71.430000000000007 110.128 -174.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -97.89 145.62 26.25 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.4 0.68 . . . . 74.420000000000002 109.364 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -145.33 132.47 20.42 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.9 0.88 . . . . 64.239999999999995 108.688 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -121.26 130.58 74.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 123.54 0.736 . . . . 72.099999999999994 109.048 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 49.0 m -73.24 111.98 8.86 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.196 0.935 . . . . 74.120000000000005 110.212 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 94' ' ' ASP . . . -113.13 160.69 17.95 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 106.107 -1.812 . . . . 75.140000000000001 106.107 169.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' A' ' 63' ' ' ARG . 2.5 mmp_? -104.77 -32.36 8.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.715 -0.616 . . . . 72.329999999999998 109.873 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.9 p -126.02 161.88 26.54 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 124.451 1.1 . . . . 65.099999999999994 108.785 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -67.86 -26.81 66.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.735 0.414 . . . . 74.530000000000001 111.561 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -63.23 -29.85 71.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.624 0.77 . . . . 54.439999999999998 110.606 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.3 mt-10 -83.25 -33.71 25.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.048 -0.524 . . . . 74.540000000000006 110.657 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.97 71.37 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 122.854 0.462 . . . . 64.549999999999997 111.758 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.33 -38.32 56.11 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.833 0.453 . . . . 70.319999999999993 111.454 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.4 pttt -75.34 -26.57 58.71 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.993 0.425 . . . . 75.040000000000006 110.614 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -88.66 -18.06 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.139 0.576 . . . . 75.120000000000005 111.497 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.78 -44.78 96.35 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.224 -1.028 . . . . 71.540000000000006 108.224 165.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.9 78.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.403 -0.817 . . . . 72.230000000000004 111.646 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.79 -57.75 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.56 0.744 . . . . 64.530000000000001 111.114 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.94 -37.86 87.15 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.632 0.975 . . . . 72.310000000000002 113.632 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 72' ' ' ALA . 1.7 mp -68.5 -37.28 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.5 0.72 . . . . 74.219999999999999 110.476 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -45.98 77.01 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.279 0.632 . . . . 51.219999999999999 110.978 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 41' ' ' LEU . 54.6 t -60.06 -53.75 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.977 0.911 . . . . 75.209999999999994 110.936 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' HB3' HD12 ' A' ' 87' ' ' ILE . 19.5 m-85 -72.44 -17.68 61.76 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.607 -0.724 . . . . 72.219999999999999 112.381 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.41 80.6 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.957 0.408 . . . . 72.310000000000002 110.382 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.1 -25.83 61.02 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.874 -0.603 . . . . 52.049999999999997 110.898 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 49' ' ' LYS . 47.0 mt -83.06 -23.76 33.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.049 0.54 . . . . 73.450000000000003 111.13 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.2 -113.39 1.42 Allowed Glycine 0 C--N 1.343 0.944 0 N-CA-C 110.93 -0.868 . . . . 51.310000000000002 110.93 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -152.6 -71.36 0.15 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.821 -0.807 . . . . 74.0 108.821 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -155.44 19.11 0.41 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.52 1.128 . . . . 73.349999999999994 108.705 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -85.4 36.08 0.63 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.019 1.328 . . . . 75.140000000000001 111.126 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 79' ' ' TYR . 15.4 mm -98.11 109.67 24.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.483 -0.78 . . . . 73.140000000000001 109.472 -169.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -89.62 125.17 35.13 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.839 -0.8 . . . . 70.319999999999993 108.839 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.48 144.99 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.392 1.077 . . . . 71.450000000000003 109.652 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 97' ' ' THR . 90.4 m -128.69 132.53 48.03 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.487 1.115 . . . . 74.230000000000004 108.339 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.71 99.82 8.0 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.35 -0.981 . . . . 74.120000000000005 108.35 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.93 68.65 1.28 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.888 0.851 . . . . 64.049999999999997 109.155 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.55 -97.19 0.23 Allowed Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.177 -1.374 . . . . 71.420000000000002 113.556 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 9.1 p-10 -92.3 -8.09 46.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 53.149999999999999 110.986 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -115.33 120.08 38.44 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.924 -0.485 . . . . 63.329999999999998 109.882 -176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.21 130.99 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.38 -0.6 . . . . 71.420000000000002 109.38 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 54.4 m -128.38 137.47 51.89 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.278 1.031 . . . . 64.120000000000005 110.149 -171.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.64 114.2 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.146 0.978 . . . . 73.349999999999994 109.798 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 57' ' ' ARG . 35.6 tt0 -153.02 139.57 18.74 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.465 1.106 . . . . 74.230000000000004 110.095 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.05 172.36 24.29 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 115.236 0.855 . . . . 64.420000000000002 115.236 161.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -104.97 124.76 50.07 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.497 1.519 . . . . 60.439999999999998 110.287 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 tt -75.41 101.18 4.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.604 -1.258 . . . . 62.219999999999999 107.604 173.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -93.56 99.99 12.34 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.634 0.774 . . . . 73.120000000000005 109.184 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.24 79.75 0.04 OUTLIER Glycine 0 C--N 1.34 0.767 0 N-CA-C 111.001 -0.84 . . . . 72.400000000000006 111.001 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.9 m -70.42 145.33 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.848 0.459 . . . . 64.019999999999996 111.029 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 124.201 1.0 . . . . 71.209999999999994 110.554 -179.249 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 121.47 0.652 . . . . 75.409999999999997 109.753 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.403 ' HB3' ' NE2' ' A' ' 4' ' ' HIS . 86.0 m-70 -134.45 81.83 1.93 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.46 0.704 . . . . 72.310000000000002 109.57 -178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.15 87.22 0.16 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.603 0.761 . . . . 65.420000000000002 109.816 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 2' ' ' HIS . 56.3 m170 -88.28 126.69 35.3 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.591 -0.732 . . . . 71.010000000000005 109.805 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -170.66 155.27 4.79 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 124.396 1.06 . . . . 72.140000000000001 108.662 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -68.66 145.49 53.84 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 123.533 0.521 . . . . 74.0 109.673 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -150.02 106.98 3.56 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.881 -0.785 . . . . 51.43 108.881 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -84.94 132.4 34.37 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 114.933 -1.03 . . . . 53.509999999999998 108.929 173.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.511 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 32.4 m -144.25 93.2 2.41 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.289 -0.634 . . . . 73.010000000000005 109.289 175.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.75 -142.15 47.48 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.229 -0.896 . . . . 71.219999999999999 113.626 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.38 140.86 29.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.082 0.953 . . . . 73.150000000000006 110.319 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.602 HG21 HD11 ' A' ' 37' ' ' LEU . 32.1 mt -107.86 105.37 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.038 -1.097 . . . . 75.430000000000007 108.038 175.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' A' ' 15' ' ' GLN . 6.3 tp-100 -87.9 120.47 29.27 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.22 0.608 . . . . 73.530000000000001 110.422 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' THR . 41.9 t -96.12 125.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 107.971 -1.122 . . . . 70.420000000000002 107.971 173.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' A' ' 13' ' ' GLN . 54.8 mt-30 -133.02 153.12 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.13 0.972 . . . . 72.310000000000002 109.471 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.615 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.5 t-20 -144.79 151.26 38.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.657 0.783 . . . . 52.310000000000002 109.715 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.46 108.82 8.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.058 -1.09 . . . . 73.530000000000001 108.058 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -101.66 121.43 42.02 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.026 -0.731 . . . . 73.099999999999994 109.026 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 p -94.24 112.1 23.88 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 107.641 -1.244 . . . . 75.439999999999998 107.641 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 t -168.78 155.77 7.26 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.241 -0.89 . . . . 74.439999999999998 109.762 -170.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -72.97 -15.7 61.54 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.276 0.63 . . . . 74.439999999999998 110.734 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.29 -160.79 4.1 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 115.722 -0.672 . . . . 51.109999999999999 112.437 169.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -84.51 144.44 28.7 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 122.551 -0.382 . . . . 70.030000000000001 111.745 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.5 p -75.22 83.79 2.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.658 1.183 . . . . 71.430000000000007 110.723 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -77.68 104.84 8.46 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.24 -0.891 . . . . 73.400000000000006 109.199 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.72 -28.12 67.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.391 -0.822 . . . . 64.349999999999994 110.922 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.615 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 21.4 m-85 48.06 36.5 6.49 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.074 0.95 . . . . 74.299999999999997 111.627 -178.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 90.6 m -86.04 116.85 24.51 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.329 -0.851 . . . . 74.230000000000004 109.72 -173.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -132.02 122.49 25.58 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.021 -1.103 . . . . 64.230000000000004 108.021 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -94.61 106.83 18.82 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.533 -0.914 . . . . 63.340000000000003 108.533 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 12' ' ' ILE . 26.3 m -100.73 173.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.228 -1.027 . . . . 72.239999999999995 108.228 172.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -135.17 -9.85 2.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.902 0.481 . . . . 72.510000000000005 110.734 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.631 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.2 m -117.41 142.78 46.72 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.932 0.893 . . . . 50.009999999999998 109.119 -177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.28 -33.44 75.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.84 0.856 . . . . 74.209999999999994 110.407 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -59.31 -38.58 80.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.187 0.995 . . . . 54.329999999999998 112.0 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.2 mt-10 -65.37 -28.84 69.56 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.361 -0.836 . . . . 72.129999999999995 111.91 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD11 HG21 ' A' ' 12' ' ' ILE . 73.1 mt -60.46 -40.81 92.54 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.657 0.598 . . . . 74.530000000000001 111.247 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.35 -30.34 71.39 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.727 0.411 . . . . 62.409999999999997 111.218 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -57.52 3.8 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.885 0.874 . . . . 52.539999999999999 110.7 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.29 -27.75 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.591 0.756 . . . . 73.219999999999999 111.821 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.0 mm? -75.27 -37.96 60.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.146 0.578 . . . . 72.319999999999993 111.752 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -69.75 -35.3 74.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.062 0.545 . . . . 72.420000000000002 112.037 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 -40.05 55.27 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.279 -0.267 . . . . 73.019999999999996 110.279 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.47 -28.26 69.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.348 1.059 . . . . 64.519999999999996 111.378 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HB2' HG13 ' A' ' 78' ' ' VAL . 38.2 ttpt -48.02 -51.17 25.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.439 1.495 . . . . 71.219999999999999 112.034 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.53 -28.89 65.28 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.849 0.86 . . . . 74.450000000000003 112.559 -176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.81 -55.08 10.79 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.827 0.451 . . . . 70.219999999999999 110.379 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 56' ' ' SER . 65.5 mt -61.74 -32.13 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 124.471 1.108 . . . . 51.509999999999998 111.058 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -57.59 -51.61 68.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.729 1.212 . . . . 64.319999999999993 110.923 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -79.45 -32.53 42.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.451 -1.25 . . . . 72.129999999999995 110.845 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -92.5 179.55 5.49 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.659 0.783 . . . . 63.340000000000003 112.36 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.81 106.03 0.21 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.827 -1.079 . . . . 43.020000000000003 112.134 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.2 m -64.54 -39.32 93.55 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.743 0.782 . . . . 72.310000000000002 108.918 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -150.78 0.43 Allowed 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.532 -1.213 . . . . 72.340000000000003 107.857 166.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 125.95 42.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.703 -0.623 . . . . 74.450000000000003 109.452 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB2' HG23 ' A' ' 48' ' ' ILE . 15.2 m -74.7 120.05 19.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.714 0.806 . . . . 75.420000000000002 110.421 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 42.0 ttm180 -92.28 115.04 27.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.329 1.052 . . . . 70.219999999999999 110.621 -171.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -102.48 143.05 32.69 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.289 0.636 . . . . 73.200000000000003 110.868 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -134.13 120.65 20.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.578 1.151 . . . . 75.120000000000005 109.13 174.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.473 HD11 HD21 ' A' ' 41' ' ' LEU . 47.9 mt -107.93 136.62 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 124.076 0.95 . . . . 75.340000000000003 108.909 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -62.94 117.89 7.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.256 0.55 . . . . 51.520000000000003 111.779 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.45 160.82 17.38 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.569 1.148 . . . . 74.010000000000005 108.469 168.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 9' ' ' SER . 16.1 mmt180 -116.85 -77.3 0.57 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.852 -0.796 . . . . 64.150000000000006 108.852 178.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.1 p -84.67 160.25 20.39 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.706 -0.85 . . . . 72.409999999999997 108.706 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.45 -19.5 62.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.343 0.657 . . . . 71.420000000000002 111.303 -177.301 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -44.84 80.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.198 0.599 . . . . 74.030000000000001 110.276 169.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 44.4 mt-10 -68.03 -28.69 67.62 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.474 -0.785 . . . . 73.120000000000005 110.695 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.425 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -67.96 -33.56 74.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.241 -0.891 . . . . 72.420000000000002 111.154 175.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 42.3 mt-10 -70.17 -49.77 47.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 73.010000000000005 111.394 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 21.8 pttp -69.09 -30.59 68.93 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 116.346 -0.388 . . . . 73.109999999999999 112.043 -175.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.0 m-30 -89.01 -19.72 25.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.215 0.45 . . . . 74.329999999999998 112.215 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -62.75 -42.96 99.92 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.951 -0.759 . . . . 55.530000000000001 108.951 166.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -58.45 -41.64 85.59 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.652 -0.704 . . . . 74.430000000000007 111.333 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 37' ' ' LEU . 68.4 mt -58.74 -38.71 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.123 0.969 . . . . 64.329999999999998 111.318 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 79' ' ' TYR . 24.3 mt -66.42 -55.36 16.1 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.42 -0.809 . . . . 52.299999999999997 111.512 175.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 89' ' ' VAL . 1.6 mp -59.32 -33.64 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 C-N-CA 123.96 0.904 . . . . 61.140000000000001 112.292 -170.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 56.1 mtpt -57.9 -37.01 73.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.23 0.612 . . . . 72.209999999999994 111.462 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 41' ' ' LEU . 70.0 t -74.74 -49.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.544 1.138 . . . . 74.25 111.139 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' HD1' HD12 ' A' ' 82' ' ' LEU . 23.6 m-85 -77.12 -16.91 59.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.36 0.664 . . . . 74.349999999999994 112.221 -171.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.79 94.94 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.614 0.571 . . . . 74.25 109.946 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.66 -34.69 58.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.069 0.948 . . . . 65.239999999999995 111.508 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.428 HD12 ' HD1' ' A' ' 79' ' ' TYR . 52.4 mt -76.06 -14.74 60.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.345 0.658 . . . . 63.149999999999999 112.581 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.13 -155.4 6.8 Favored Glycine 0 C--N 1.342 0.886 0 CA-C-N 116.343 -0.39 . . . . 71.040000000000006 112.262 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -104.19 34.06 3.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.656 1.182 . . . . 73.209999999999994 109.142 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 66.16 12.79 8.77 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.682 1.193 . . . . 74.400000000000006 111.655 -175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.29 95.58 8.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.171 -1.048 . . . . 64.430000000000007 108.171 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.541 HG21 HG13 ' A' ' 76' ' ' ILE . 33.6 mm -119.58 142.36 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 115.627 -0.715 . . . . 65.129999999999995 110.765 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -115.41 111.15 20.39 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.181 -1.044 . . . . 60.409999999999997 108.181 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 76' ' ' ILE . 7.9 t -101.08 133.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.015 -0.735 . . . . 61.329999999999998 109.015 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 p -133.57 125.54 29.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.901 0.88 . . . . 54.149999999999999 109.222 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -97.9 102.94 14.82 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.392 0.677 . . . . 73.099999999999994 109.343 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.8 t70 -70.03 -38.3 75.82 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.542 0.737 . . . . 63.109999999999999 110.348 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.25 -55.6 0.55 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 110.695 -0.962 . . . . 61.32 110.695 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.02 -18.56 39.35 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.212 0.605 . . . . 64.430000000000007 110.394 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 6.1 p -144.34 153.97 42.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.224 1.01 . . . . 73.109999999999999 111.264 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.425 HG11 ' O ' ' A' ' 68' ' ' ALA . 13.4 m -106.36 125.82 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.786 0.834 . . . . 62.310000000000002 109.286 166.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.3 m -117.73 132.07 56.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.031 0.933 . . . . 75.099999999999994 110.06 -172.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.6 t -128.27 117.3 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.296 0.639 . . . . 73.450000000000003 109.684 173.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -154.17 132.32 11.8 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.99 -1.115 . . . . 74.25 107.99 171.155 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.06 -159.88 31.66 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.614 0.571 . . . . 62.420000000000002 112.585 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.61 38.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.958 0.503 . . . . 74.099999999999994 111.538 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.14 103.32 2.73 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 106.554 -1.647 . . . . 74.010000000000005 106.554 166.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.81 149.85 21.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.867 0.867 . . . . 54.219999999999999 110.967 -175.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.46 -82.02 0.48 Allowed Glycine 0 C--N 1.349 1.277 0 O-C-N 123.885 0.741 . . . . 73.219999999999999 114.699 169.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.55 96.33 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 124.399 1.079 . . . . 74.329999999999998 111.591 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--O 1.254 1.309 0 CA-C-N 115.721 -0.672 . . . . 52.509999999999998 109.607 176.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.328 -0.249 . . . . 75.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -148.83 -79.53 0.14 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.946 0.898 . . . . 42.210000000000001 110.122 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -77.26 -36.25 54.61 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 113.074 0.768 . . . . 64.239999999999995 113.074 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -57.31 115.46 2.71 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.386 0.429 . . . . 73.120000000000005 110.13 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -55.83 114.04 1.74 Allowed 'General case' 0 CA--C 1.541 0.631 0 O-C-N 124.652 1.22 . . . . 73.239999999999995 112.274 -172.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -108.08 89.76 3.09 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.196 -1.365 . . . . 70.010000000000005 109.044 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -67.75 141.49 56.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 72.120000000000005 110.654 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.75 13.19 9.27 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.298 1.039 . . . . 70.319999999999993 112.594 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.4 t -76.91 96.2 4.28 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.376 -0.972 . . . . 63.409999999999997 108.376 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.88 28.9 0.1 OUTLIER Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.16 -0.927 . . . . 74.400000000000006 111.073 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.74 147.13 50.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.753 0.821 . . . . 73.310000000000002 111.123 -176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 96.4 mt -106.89 121.89 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.299 1.44 . . . . 74.030000000000001 110.338 -169.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -93.57 126.94 39.01 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.657 0.383 . . . . 54.119999999999997 110.028 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.64 114.93 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.257 1.023 . . . . 64.120000000000005 108.686 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -113.47 140.78 47.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.244 1.018 . . . . 75.400000000000006 109.05 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 27.1 t-20 -138.18 147.84 44.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.363 0.665 . . . . 65.109999999999999 109.682 173.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -131.71 110.79 11.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.643 0.777 . . . . 65.019999999999996 110.203 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' A' ' 48' ' ' ILE . 90.0 m-20 -109.01 113.0 25.49 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.593 -1.262 . . . . 62.130000000000003 107.593 167.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.38 107.39 9.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.529 -0.545 . . . . 65.030000000000001 109.529 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.4 p 169.69 117.56 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.048 1.739 . . . . 71.109999999999999 107.934 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 68.67 -76.73 0.06 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.987 1.315 . . . . 74.530000000000001 111.763 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.99 139.47 27.18 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-O 119.88 -0.4 . . . . 13.43 112.439 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -68.27 133.73 49.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.429 0.692 . . . . 72.120000000000005 110.751 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m -70.06 97.34 1.16 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.544 0.738 . . . . 64.219999999999999 109.148 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.09 -80.72 0.06 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.868 -0.419 . . . . 70.329999999999998 109.868 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.06 138.12 6.58 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 109.304 -0.628 . . . . 64.25 109.304 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.644 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 97.1 m-85 -139.05 12.28 2.63 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.26 1.024 . . . . 74.319999999999993 110.237 -176.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.5 m -86.27 134.85 33.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.325 0.65 . . . . 72.239999999999995 110.872 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -133.04 159.13 40.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.71 1.204 . . . . 73.340000000000003 108.854 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -124.92 112.02 16.13 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.769 -0.826 . . . . 74.420000000000002 108.769 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG11 ' HA ' ' A' ' 37' ' ' LEU . 33.1 m -114.46 126.02 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.968 -0.752 . . . . 74.129999999999995 108.968 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -89.74 -17.92 27.36 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.338 0.59 . . . . 73.120000000000005 109.873 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -139.02 152.48 47.65 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.987 0.915 . . . . 71.409999999999997 109.994 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.41 -22.14 66.86 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.289 1.036 . . . . 74.040000000000006 112.85 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -64.28 -37.64 88.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.058 0.543 . . . . 70.219999999999999 110.469 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 22.6 mm-40 -73.18 -38.46 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.841 0.857 . . . . 74.25 110.042 178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HA ' HG11 ' A' ' 31' ' ' VAL . 8.9 tp -55.94 -42.49 76.26 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.654 1.182 . . . . 64.349999999999994 112.4 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -62.96 -26.77 68.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.447 -0.797 . . . . 71.310000000000002 111.434 -174.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.65 -48.04 23.81 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.254 0.621 . . . . 50.200000000000003 109.94 174.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 16.1 m -67.98 -26.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-O 118.858 -0.591 . . . . 73.239999999999995 112.165 -172.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.533 ' HG ' HG22 ' A' ' 74' ' ' ILE . 3.8 mm? -80.07 -40.05 28.44 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.46 0.573 . . . . 72.430000000000007 112.259 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -63.96 -43.97 94.19 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.648 0.592 . . . . 75.439999999999998 109.527 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.36 -40.04 70.9 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.125 -0.488 . . . . 71.439999999999998 110.705 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 35.3 tp -63.44 -29.62 70.87 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.464 0.705 . . . . 75.120000000000005 110.668 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -54.45 -39.99 67.96 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.915 0.886 . . . . 73.109999999999999 110.838 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.07 -41.63 70.45 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.662 0.785 . . . . 62.030000000000001 111.068 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -58.84 -42.33 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.325 0.65 . . . . 73.420000000000002 111.941 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.64 ' HA ' HD21 ' A' ' 18' ' ' ASN . 69.0 mt -74.46 -45.63 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.64 0.776 . . . . 73.140000000000001 110.681 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.34 -37.93 71.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.751 0.82 . . . . 74.510000000000005 111.373 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -66.08 -43.9 86.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.462 0.476 . . . . 65.109999999999999 110.317 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.54 -38.48 90.16 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 123.731 0.644 . . . . 74.310000000000002 109.567 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.14 53.58 45.19 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 114.79 -1.096 . . . . 73.299999999999997 112.693 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 t -86.72 144.83 26.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 110.104 -0.332 . . . . 70.540000000000006 110.104 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -60.14 -42.95 95.94 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.584 0.754 . . . . 71.230000000000004 111.416 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -118.75 135.15 54.66 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.66 0.784 . . . . 61.009999999999998 110.312 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.481 ' HB3' ' HE1' ' A' ' 79' ' ' TYR . 35.2 t -139.29 117.1 11.57 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.975 0.91 . . . . 62.229999999999997 108.718 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -114.2 108.93 17.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.498 0.719 . . . . 60.43 109.801 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m -103.38 121.13 42.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.476 0.711 . . . . 73.409999999999997 109.713 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -119.84 130.34 54.84 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 109.189 -0.671 . . . . 61.43 109.189 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.521 HG21 ' CD2' ' A' ' 71' ' ' PHE . 22.4 mt -126.65 139.88 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.156 0.982 . . . . 70.140000000000001 110.692 -171.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 47.2 m -66.55 105.55 1.54 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.915 0.886 . . . . 70.439999999999998 111.146 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.08 128.36 46.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.805 0.842 . . . . 71.030000000000001 109.825 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 29.9 mmt180 -80.08 -35.7 36.61 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.752 -0.592 . . . . 71.340000000000003 111.067 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -131.55 178.73 6.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.372 1.069 . . . . 65.340000000000003 108.913 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -74.14 -20.77 60.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.225 0.21 . . . . 73.099999999999994 110.527 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -72.0 -29.14 63.91 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.189 0.596 . . . . 74.349999999999994 109.854 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 5.5 mm-40 -75.31 -43.27 51.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.03 -0.73 . . . . 64.340000000000003 109.03 171.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -57.43 -41.16 79.89 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.427 -0.806 . . . . 60.049999999999997 112.154 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.74 -43.25 63.17 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.504 0.321 . . . . 70.439999999999998 111.837 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 62.9 pttt -74.33 -43.29 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 119.499 -0.286 . . . . 75.340000000000003 110.517 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 39.4 m-85 -64.41 -35.91 82.45 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.489 0.493 . . . . 75.510000000000005 110.392 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.618 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -56.51 -47.65 78.89 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.828 0.705 . . . . 75.310000000000002 110.938 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.17 98.94 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.226 0.954 . . . . 63.530000000000001 110.87 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.533 HG22 ' HG ' ' A' ' 41' ' ' LEU . 88.8 mt -60.24 -25.38 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.049 0.939 . . . . 61.210000000000001 110.93 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 58.5 mt -81.35 -42.46 20.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.047 0.539 . . . . 74.439999999999998 110.284 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.76 -35.51 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 124.861 1.265 . . . . 61.32 111.284 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -60.77 -46.2 91.42 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 63.25 110.683 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 41' ' ' LEU . 61.9 t -60.72 -52.53 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.897 0.879 . . . . 75.099999999999994 110.717 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.481 ' HE1' ' HB3' ' A' ' 56' ' ' SER . 72.9 m-85 -69.68 -24.25 63.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.187 0.595 . . . . 74.120000000000005 112.345 -177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.92 89.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.865 0.466 . . . . 74.109999999999999 110.428 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -36.34 83.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.397 -0.82 . . . . 70.200000000000003 110.716 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 85.0 mt -71.39 -23.91 61.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.595 0.758 . . . . 61.329999999999998 112.137 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -178.79 -96.89 0.1 Allowed Glycine 0 C--N 1.352 1.441 0 C-N-CA 121.277 -0.487 . . . . 62.509999999999998 113.902 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.26 158.37 16.62 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.721 0.808 . . . . 75.420000000000002 112.307 -169.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -82.04 -28.64 32.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 74.129999999999995 109.915 174.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -71.57 105.93 3.83 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.352 0.661 . . . . 64.319999999999993 109.271 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -122.04 142.32 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.876 0.87 . . . . 72.530000000000001 109.129 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 101' ' ' GLN . 6.2 t30 -88.24 123.93 33.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.53 -0.915 . . . . 60.329999999999998 108.53 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.81 141.76 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.426 0.69 . . . . 74.140000000000001 109.539 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -144.75 139.29 27.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.533 1.133 . . . . 75.450000000000003 108.422 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.45 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 17.8 m-90 -110.86 100.84 9.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.652 -0.87 . . . . 74.310000000000002 108.652 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.7 t70 -61.09 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.771 0.828 . . . . 75.140000000000001 110.826 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.44 -84.9 0.17 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.594 -1.002 . . . . 72.319999999999993 110.594 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.68 0.27 44.06 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.505 0.722 . . . . 75.140000000000001 110.627 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 7.0 m -140.33 143.04 35.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.081 0.952 . . . . 73.450000000000003 108.476 171.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.6 p -111.66 145.43 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.014 -0.736 . . . . 61.329999999999998 109.014 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.2 m -130.33 132.16 45.71 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.448 0.699 . . . . 72.040000000000006 110.022 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.6 t -126.0 132.28 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.501 1.12 . . . . 74.439999999999998 108.715 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -119.06 143.49 47.09 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 124.455 1.102 . . . . 72.239999999999995 109.178 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.59 100.73 1.33 Allowed Glycine 0 C--N 1.342 0.912 0 N-CA-C 110.259 -1.137 . . . . 73.530000000000001 110.259 169.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . 16.9 pt20 -78.93 157.3 28.24 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.16 0.505 . . . . 73.030000000000001 111.511 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 103' ' ' GLU . 1.2 tm? -86.17 149.32 25.19 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.141 -1.059 . . . . 71.129999999999995 108.141 176.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' N ' HD13 ' A' ' 102' ' ' LEU . 12.3 pt-20 -65.55 155.16 36.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.357 0.663 . . . . 70.209999999999994 112.179 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.19 52.09 0.46 Allowed Glycine 0 N--CA 1.467 0.75 0 N-CA-C 110.989 -0.844 . . . . 73.540000000000006 110.989 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -132.99 155.22 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.368 1.067 . . . . 75.420000000000002 110.405 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.34 -0.615 . . . . 63.439999999999998 109.34 -179.199 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 109.213 -0.662 . . . . 72.439999999999998 109.213 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -137.26 105.22 5.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.119 0.968 . . . . 65.340000000000003 108.847 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -76.07 95.64 3.67 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.637 -0.71 . . . . 75.310000000000002 111.31 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -77.04 -6.02 51.07 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.844 -0.616 . . . . 73.349999999999994 111.122 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -81.39 60.71 4.55 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.783 -0.821 . . . . 65.409999999999997 108.783 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.62 77.49 3.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.645 0.736 . . . . 64.420000000000002 109.952 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -147.83 157.34 43.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.896 1.278 . . . . 73.230000000000004 108.535 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -108.01 125.35 51.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.468 0.707 . . . . 70.349999999999994 110.719 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -81.62 100.92 9.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.68 0.792 . . . . 73.430000000000007 109.517 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.52 139.02 27.05 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 115.755 -0.657 . . . . 64.239999999999995 111.594 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -76.95 154.94 33.1 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.123 0.569 . . . . 74.409999999999997 111.247 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 HG21 HD22 ' A' ' 37' ' ' LEU . 76.0 mt -80.33 103.67 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 114.943 -1.026 . . . . 62.509999999999998 109.097 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' H ' ' HB ' ' A' ' 61' ' ' THR . 7.4 tp-100 -89.71 120.83 31.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.069 0.948 . . . . 74.099999999999994 109.188 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.05 114.13 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 106.601 -1.629 . . . . 71.120000000000005 106.601 -174.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 28' ' ' THR . 51.7 mt-30 -123.25 105.14 9.61 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.59 -0.522 . . . . 74.420000000000002 109.59 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 26' ' ' ASP . 27.4 t-20 -103.98 130.41 51.63 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.394 -0.965 . . . . 75.540000000000006 108.394 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 56' ' ' SER . 3.1 t-20 -101.14 110.06 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.929 -1.137 . . . . 74.329999999999998 107.929 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -139.69 113.66 8.8 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.651 -1.611 . . . . 62.439999999999998 106.651 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -145.04 124.99 13.48 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.285 0.564 . . . . 63.119999999999997 109.838 -174.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -148.28 172.77 13.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.91 1.284 . . . . 22.449999999999999 108.72 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -69.12 88.62 0.42 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.177 0.513 . . . . 65.329999999999998 109.712 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.56 10.15 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.251 -0.886 . . . . 51.119999999999997 110.925 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -77.97 80.07 4.42 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.368 0.604 . . . . 72.329999999999998 109.655 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 t -140.87 90.87 2.36 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.097 -0.956 . . . . 60.399999999999999 108.562 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.99 163.56 21.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.133 -0.94 . . . . 71.329999999999998 111.074 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 16' ' ' ASN . 6.2 m-20 -74.23 134.97 42.69 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.964 0.906 . . . . 73.030000000000001 109.482 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -86.52 81.42 8.29 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.645 0.736 . . . . 72.329999999999998 110.291 -167.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 15' ' ' GLN . 5.4 p -94.9 134.95 37.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.825 -1.08 . . . . 65.299999999999997 111.189 177.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.61 156.26 49.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.656 1.182 . . . . 71.310000000000002 108.923 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.5 m -129.27 109.38 11.07 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.53 -0.915 . . . . 72.230000000000004 108.53 172.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 14.9 m -113.78 146.94 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.383 0.673 . . . . 70.310000000000002 109.807 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 t -101.68 -19.38 15.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.111 0.565 . . . . 62.43 110.666 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.51 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.0 m -118.42 143.27 46.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.881 0.873 . . . . 51.439999999999998 109.203 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.06 -27.74 67.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.677 0.791 . . . . 64.120000000000005 112.215 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -64.97 -41.59 95.3 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.663 0.385 . . . . 75.140000000000001 110.919 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.3 mt-10 -63.13 -33.26 75.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.078 0.551 . . . . 64.340000000000003 110.55 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.49 HD11 HD13 ' A' ' 60' ' ' ILE . 55.0 tp -60.8 -41.33 95.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.545 0.738 . . . . 71.25 110.809 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -70.6 -32.18 69.44 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.661 -0.699 . . . . 73.200000000000003 111.124 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -70.87 -43.03 69.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.422 0.689 . . . . 71.230000000000004 111.178 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.9 m -74.3 -26.6 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 119.67 -0.205 . . . . 72.299999999999997 111.084 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mm? -74.66 -34.75 62.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.467 0.707 . . . . 72.420000000000002 111.037 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 18.6 t30 -55.68 -51.35 67.58 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.27 1.028 . . . . 73.099999999999994 110.578 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.16 -33.47 59.37 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.014 0.526 . . . . 44.32 111.612 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 16' ' ' ASN . 9.5 tt -58.49 -33.75 70.14 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.467 1.107 . . . . 75.510000000000005 111.38 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.5 ttpt -54.58 -47.09 73.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.317 1.047 . . . . 74.219999999999999 112.103 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.21 -34.73 79.05 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.958 -1.019 . . . . 72.230000000000004 110.957 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -73.09 -37.19 66.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.3 -0.864 . . . . 72.549999999999997 111.996 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.3 mt -70.05 -43.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.602 -0.518 . . . . 73.409999999999997 109.602 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -65.8 -21.74 66.51 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.019 0.927 . . . . 74.230000000000004 111.77 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -53.18 -41.74 65.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.277 1.031 . . . . 74.140000000000001 111.788 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -114.91 172.05 7.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.189 0.595 . . . . 64.319999999999993 110.088 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.26 31.28 6.82 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.62 -0.264 . . . . 25.420000000000002 112.651 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.38 100.18 3.72 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.376 0.671 . . . . 73.299999999999997 109.407 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.95 -10.74 59.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.661 0.784 . . . . 74.530000000000001 112.363 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -111.26 121.92 46.52 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.541 0.736 . . . . 64.219999999999999 109.83 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' ASN . 59.0 p -139.83 111.96 7.58 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.799 0.84 . . . . 73.549999999999997 109.578 176.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -99.34 109.36 21.99 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.608 -0.516 . . . . 74.019999999999996 109.608 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -112.54 132.82 54.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.719 0.408 . . . . 70.219999999999999 110.218 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 4.8 t -134.82 119.99 18.81 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.969 -1.123 . . . . 72.510000000000005 107.969 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.49 HD13 HD11 ' A' ' 37' ' ' LEU . 62.6 mt -115.11 120.22 64.0 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 C-N-CA 124.414 1.085 . . . . 75.310000000000002 109.353 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.478 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 33.0 m -65.36 103.42 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 121.703 0.763 . . . . 73.120000000000005 110.133 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.73 127.5 53.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.194 -1.366 . . . . 32.130000000000003 107.462 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.03 -21.22 65.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.855 0.687 . . . . 74.219999999999999 112.855 -170.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -138.01 167.78 21.08 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.53 0.732 . . . . 73.329999999999998 109.921 173.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.83 -33.09 74.9 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.719 0.807 . . . . 52.149999999999999 111.011 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -68.69 -24.04 64.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.374 0.607 . . . . 74.230000000000004 110.237 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 50.9 mt-10 -83.97 -33.68 24.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 64.450000000000003 110.876 172.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -67.24 -36.15 81.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.909 -0.587 . . . . 61.530000000000001 111.227 -178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.62 -38.31 73.91 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.324 -0.398 . . . . 74.219999999999999 111.405 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -74.4 -30.31 61.89 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.904 -0.497 . . . . 75.120000000000005 111.165 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -83.69 -16.02 46.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.818 0.447 . . . . 75.209999999999994 111.807 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.21 82.26 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.541 -0.541 . . . . 44.539999999999999 109.541 166.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.37 78.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.136 -0.938 . . . . 51.200000000000003 111.735 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.49 HG22 ' HG ' ' A' ' 41' ' ' LEU . 50.1 mt -57.5 -38.06 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.453 0.701 . . . . 65.140000000000001 111.003 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.0 mt -75.43 -43.85 47.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.5 -0.318 . . . . 71.209999999999994 111.485 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.496 HG12 HG21 ' A' ' 87' ' ' ILE . 60.3 mt -66.11 -40.11 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.203 0.601 . . . . 60.130000000000003 110.915 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -64.55 -35.37 80.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.412 0.685 . . . . 71.519999999999996 111.677 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 41' ' ' LEU . 71.1 t -80.69 -49.89 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.479 0.711 . . . . 45.240000000000002 111.462 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 1.5 m-85 -75.95 -33.17 59.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.04 0.936 . . . . 65.329999999999998 112.385 -168.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -21.5 65.96 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.031 0.207 . . . . 42.240000000000002 111.507 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.23 -37.03 84.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.585 0.754 . . . . 74.5 110.747 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.37 -22.79 47.38 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.172 -0.922 . . . . 73.340000000000003 110.503 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.81 168.54 11.85 Favored Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.387 -0.824 . . . . 74.140000000000001 111.705 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 64.15 85.4 0.14 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 72.329999999999998 111.413 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.28 -20.87 62.16 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.524 -0.547 . . . . 72.109999999999999 109.524 171.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.48 83.56 0.1 Allowed 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.219 1.008 . . . . 65.239999999999995 108.394 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.496 HG21 HG12 ' A' ' 76' ' ' ILE . 36.9 mm -102.03 124.16 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.861 -0.792 . . . . 74.439999999999998 108.861 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.73 106.53 18.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.154 -1.054 . . . . 73.230000000000004 108.154 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.87 128.67 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.523 0.729 . . . . 72.439999999999998 109.623 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -137.46 155.68 49.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.69 1.196 . . . . 71.129999999999995 107.965 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.463 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 8.5 m-90 -125.94 106.49 9.67 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.31 -0.626 . . . . 71.140000000000001 109.31 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -110.86 91.02 3.5 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.097 0.959 . . . . 72.219999999999999 109.675 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.28 49.28 9.59 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 116.011 -0.541 . . . . 75.340000000000003 113.258 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 65.57 2.66 2.12 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.087 1.355 . . . . 73.450000000000003 113.171 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.2 m -98.9 136.82 38.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.405 1.082 . . . . 63.43 108.307 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' SER . 5.0 p -90.97 112.32 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.428 0.632 . . . . 73.120000000000005 110.352 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -107.31 134.83 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.466 1.106 . . . . 75.109999999999999 109.44 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.18 132.88 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.563 1.145 . . . . 74.349999999999994 107.977 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.57 138.17 24.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.519 0.728 . . . . 73.409999999999997 109.755 175.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.11 -136.09 45.8 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.101 0.876 . . . . 60.030000000000001 113.551 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -128.07 162.46 26.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.535 0.734 . . . . 74.0 109.586 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -85.78 123.66 31.4 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.579 -0.526 . . . . 74.439999999999998 109.579 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -88.17 -16.82 32.33 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.106 0.562 . . . . 74.219999999999999 111.167 176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.08 122.56 28.91 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.606 0.566 . . . . 52.409999999999997 112.032 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.98 136.52 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.607 0.763 . . . . 71.400000000000006 110.943 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 123.138 0.575 . . . . 74.430000000000007 109.526 177.388 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mmt . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 109.326 -0.62 . . . . 74.120000000000005 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -80.4 -41.85 23.85 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.188 -0.671 . . . . 74.310000000000002 109.188 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -107.89 125.1 51.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 74.239999999999995 108.128 168.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -68.64 130.31 42.45 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.912 0.387 . . . . 74.040000000000006 110.283 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -150.43 131.07 13.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.425 1.09 . . . . 70.099999999999994 109.046 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -78.29 78.96 4.75 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.938 -0.764 . . . . 71.430000000000007 108.938 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -151.91 127.17 9.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 73.140000000000001 108.243 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -78.0 120.82 23.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.892 0.877 . . . . 63.140000000000001 110.32 -177.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p -81.01 -21.51 40.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.212 0.605 . . . . 61.130000000000003 111.292 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.36 66.25 0.03 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.484 -0.647 . . . . 44.219999999999999 111.484 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.62 126.86 30.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.556 0.742 . . . . 72.109999999999999 109.489 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 14.6 mt -78.65 104.16 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 114.874 -1.057 . . . . 73.439999999999998 110.298 -170.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -93.28 112.46 24.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.095 -0.706 . . . . 74.129999999999995 109.095 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t -91.59 105.62 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.979 -1.489 . . . . 72.129999999999995 106.979 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.88 106.02 16.33 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.634 -0.876 . . . . 73.340000000000003 108.634 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 8.6 t30 -105.49 112.73 25.94 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.491 -0.929 . . . . 74.140000000000001 108.491 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -103.48 111.35 23.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.381 -1.34 . . . . 72.430000000000007 107.381 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -109.23 135.54 50.15 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.493 0.717 . . . . 71.010000000000005 109.606 -175.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 p -94.84 112.11 23.85 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.957 0.903 . . . . 71.439999999999998 109.31 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.6 m -134.53 168.85 18.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 70.530000000000001 110.36 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -92.51 -32.79 14.73 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.453 0.701 . . . . 73.310000000000002 110.645 172.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.38 -129.13 0.24 Allowed Glycine 0 C--N 1.354 1.578 0 O-C-N 123.517 0.511 . . . . 63.350000000000001 113.451 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -58.64 -34.51 71.26 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.805 0.842 . . . . 61.240000000000002 110.875 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m 61.15 31.32 19.65 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 124.781 1.3 . . . . 60.539999999999999 109.955 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -72.96 113.55 10.12 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 114.978 -1.01 . . . . 73.519999999999996 109.41 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 7.4 p-10 -72.27 164.69 25.84 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.756 -1.111 . . . . 75.549999999999997 109.833 174.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -126.81 111.74 14.55 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.234 0.613 . . . . 73.040000000000006 109.456 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 m -120.16 130.2 54.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.15 0.58 . . . . 44.509999999999998 110.315 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -124.02 146.89 48.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.51 1.124 . . . . 65.140000000000001 108.267 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.1 m -132.21 116.12 16.55 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.435 0.562 . . . . 75.329999999999998 109.884 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.54 133.34 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.287 1.035 . . . . 64.230000000000004 109.056 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -87.24 -6.03 58.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.01 0.524 . . . . 61.43 110.988 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 m -128.48 143.35 50.97 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.392 0.677 . . . . 64.349999999999994 110.547 -175.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.42 -45.46 88.4 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.232 1.413 . . . . 63.520000000000003 112.427 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -65.71 -30.78 71.51 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.195 0.998 . . . . 43.100000000000001 112.927 -173.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 17.1 mm-40 -69.22 -37.42 78.03 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.906 0.883 . . . . 75.319999999999993 111.113 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 ' O ' HG22 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -57.45 -39.14 75.66 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.502 -1.226 . . . . 74.400000000000006 112.614 -177.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -65.49 -18.9 65.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.851 -0.613 . . . . 71.230000000000004 111.79 -171.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.81 -42.95 18.97 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.611 0.764 . . . . 64.25 110.421 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 37' ' ' LEU . 3.1 m -65.95 -22.52 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 122.835 0.454 . . . . 72.409999999999997 111.444 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' HB3' HG21 ' A' ' 78' ' ' VAL . 3.8 mm? -71.51 -41.6 69.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.001 0.92 . . . . 63.219999999999999 111.405 175.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.32 -37.46 87.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.22 0.608 . . . . 65.219999999999999 110.056 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.7 -50.1 68.29 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.505 -0.77 . . . . 72.310000000000002 110.136 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.72 -39.62 74.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.7 1.2 . . . . 73.219999999999999 111.514 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -55.93 -54.13 48.5 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.56 1.144 . . . . 73.219999999999999 111.57 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.21 -39.03 82.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.293 0.996 . . . . 72.109999999999999 110.883 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -66.54 -38.56 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.448 0.699 . . . . 70.230000000000004 111.142 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.97 -47.48 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.803 0.841 . . . . 64.200000000000003 110.221 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.62 -26.6 65.43 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.094 0.558 . . . . 55.0 111.778 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -32.0 73.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.824 0.85 . . . . 55.240000000000002 111.143 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -106.02 119.41 39.13 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.766 0.827 . . . . 71.140000000000001 109.602 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.53 74.26 1.1 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.874 -0.49 . . . . 75.420000000000002 111.874 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.9 m -93.32 179.78 5.3 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.721 1.208 . . . . 72.510000000000005 111.33 -174.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -76.64 -70.53 0.45 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.745 0.818 . . . . 60.409999999999997 111.01 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -153.16 150.11 28.73 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.353 0.661 . . . . 73.319999999999993 110.695 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 m -120.39 119.17 32.28 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.969 0.908 . . . . 65.409999999999997 110.625 -174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HE ' ' HG3' ' A' ' 99' ' ' GLU . 11.6 ttm180 -102.51 109.6 21.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.519 0.728 . . . . 71.540000000000006 110.228 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 m -103.86 129.81 51.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.951 0.5 . . . . 73.510000000000005 109.841 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -127.3 119.1 25.52 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.433 -1.321 . . . . 63.409999999999997 107.433 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 71' ' ' PHE . 37.0 mt -113.32 132.52 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.731 0.812 . . . . 74.120000000000005 110.113 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.0 m -54.7 119.85 5.91 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.359 1.064 . . . . 52.109999999999999 112.422 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.02 146.95 52.56 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.369 -1.345 . . . . 64.109999999999999 107.369 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -100.21 -27.0 13.74 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.549 -0.537 . . . . 74.310000000000002 109.549 173.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.0 p -130.58 160.52 33.93 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 124.745 1.218 . . . . 44.039999999999999 109.079 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 13.8 ptmm? -73.32 -23.2 60.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.627 0.371 . . . . 73.150000000000006 111.86 -174.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.63 -34.88 72.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.833 0.453 . . . . 64.420000000000002 111.209 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.97 93.18 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.5 -0.556 . . . . 64.140000000000001 109.5 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.13 69.86 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.117 -0.947 . . . . 72.510000000000005 111.78 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 58.4 mm-40 -70.28 -53.13 18.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.835 0.454 . . . . 72.430000000000007 111.859 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' NZ ' ' HE1' ' A' ' 71' ' ' PHE . 20.7 pttp -69.69 -32.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.429 0.529 . . . . 63.229999999999997 112.429 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 60' ' ' ILE . 36.3 m-85 -76.34 -28.48 56.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.484 0.314 . . . . 73.120000000000005 111.092 174.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -66.32 -41.27 89.91 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 109.837 -0.431 . . . . 73.239999999999995 109.837 171.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.62 94.85 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.132 0.573 . . . . 74.439999999999998 110.483 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.497 HG22 ' HG ' ' A' ' 41' ' ' LEU . 96.5 mt -62.48 -42.67 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.077 0.951 . . . . 74.430000000000007 110.561 174.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD13 ' HB ' ' A' ' 98' ' ' VAL . 26.8 mt -63.06 -57.71 9.73 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.88 0.872 . . . . 72.120000000000005 111.588 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.726 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -51.48 -36.74 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.177 1.391 . . . . 65.519999999999996 111.703 -176.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.29 -48.64 79.01 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.477 0.711 . . . . 51.140000000000001 112.094 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' LEU . 58.4 t -64.48 -51.14 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.408 1.083 . . . . 41.350000000000001 110.441 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.469 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 5.3 m-85 -72.91 -16.56 61.56 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.643 -1.617 . . . . 71.450000000000003 111.788 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.58 75.8 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.748 0.819 . . . . 71.430000000000007 110.896 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.73 -27.25 64.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.61 0.764 . . . . 70.540000000000006 110.671 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.8 mt -92.67 -26.72 17.68 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.741 0.816 . . . . 74.409999999999997 111.379 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.68 -32.51 3.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.813 -0.437 . . . . 64.329999999999998 114.024 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 63.52 17.37 10.31 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.356 1.062 . . . . 74.040000000000006 112.444 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -142.47 -175.72 4.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.32 1.048 . . . . 72.340000000000003 109.985 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.46 130.02 44.84 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.273 -0.876 . . . . 75.409999999999997 108.833 168.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.726 ' HB ' HG13 ' A' ' 76' ' ' ILE . 48.5 mm -99.49 143.58 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.626 0.648 . . . . 64.510000000000005 110.045 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -88.08 126.16 34.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.936 0.894 . . . . 53.329999999999998 110.161 -167.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.0 p -122.2 137.57 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 124.396 1.079 . . . . 73.120000000000005 109.684 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 m -142.2 152.64 43.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.22 1.008 . . . . 73.0 108.529 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -127.81 128.1 44.68 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.051 0.54 . . . . 73.329999999999998 109.638 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.17 142.71 13.3 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.666 0.787 . . . . 74.25 109.644 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.37 33.75 88.08 Favored Glycine 0 C--N 1.345 1.028 0 O-C-N 123.458 0.474 . . . . 52.32 112.731 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 69.36 2.17 3.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 125.298 1.439 . . . . 73.349999999999994 111.614 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.6 m -116.64 142.44 46.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.535 1.134 . . . . 54.530000000000001 109.705 -165.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -92.6 114.22 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.281 0.562 . . . . 52.020000000000003 110.634 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -108.2 104.75 14.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.108 0.963 . . . . 75.099999999999994 110.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.456 ' HB ' HD13 ' A' ' 75' ' ' LEU . 38.7 t -99.8 123.03 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.16 0.984 . . . . 73.109999999999999 109.447 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' HG3' ' HE ' ' A' ' 57' ' ' ARG . 1.1 tm-20 -152.3 118.21 5.46 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.7 -0.852 . . . . 64.400000000000006 108.7 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.44 -146.47 18.97 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.684 0.615 . . . . 40.219999999999999 113.111 172.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -148.46 151.76 35.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.467 0.707 . . . . 75.0 110.789 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.9 mt -82.13 154.87 25.31 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.199 0.999 . . . . 75.219999999999999 111.653 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -105.81 -170.08 1.68 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.473 1.109 . . . . 70.219999999999999 110.495 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.29 74.85 1.29 Allowed Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.277 -0.329 . . . . 73.400000000000006 112.277 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -72.4 93.05 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 CA-C-O 121.73 0.776 . . . . 65.310000000000002 110.095 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.714 -0.675 . . . . 73.540000000000006 109.466 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.819 0.342 . . . . 74.120000000000005 110.626 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -137.01 50.01 2.02 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.069 0.948 . . . . 74.319999999999993 108.802 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -71.15 103.57 2.81 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.111 -0.95 . . . . 73.109999999999999 111.167 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -130.37 99.81 5.15 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 106.476 -1.676 . . . . 63.240000000000002 106.476 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 97.68 0.28 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.386 -0.598 . . . . 64.239999999999995 109.386 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.0 163.48 29.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.456 0.703 . . . . 52.240000000000002 110.917 -170.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -103.28 -34.24 8.86 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.275 -0.875 . . . . 60.229999999999997 109.291 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -137.86 -57.17 0.67 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.847 0.859 . . . . 63.299999999999997 111.301 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 m 62.77 34.3 14.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.176 0.99 . . . . 50.439999999999998 109.482 -162.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.93 141.66 9.61 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.038 -0.983 . . . . 71.140000000000001 111.45 -168.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.51 157.33 26.16 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.577 0.751 . . . . 74.310000000000002 110.941 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' A' ' 31' ' ' VAL . 37.7 mt -97.62 101.42 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 108.276 -1.009 . . . . 65.340000000000003 108.276 174.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -101.04 117.31 34.77 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.339 0.655 . . . . 72.430000000000007 109.429 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG22 HG12 ' A' ' 60' ' ' ILE . 67.7 t -92.94 106.82 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.917 1.287 . . . . 52.130000000000003 108.536 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' HA ' HG23 ' A' ' 28' ' ' THR . 96.4 mt-30 -99.0 106.02 18.23 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.855 -0.795 . . . . 64.510000000000005 108.855 174.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 19.9 t-20 -107.63 143.05 36.64 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.886 -0.783 . . . . 73.439999999999998 108.886 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -138.68 139.64 38.52 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.806 -1.183 . . . . 65.239999999999995 107.806 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.55 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.8 m-20 -122.32 128.46 51.07 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.603 0.761 . . . . 64.239999999999995 109.731 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.1 m -95.45 110.16 22.25 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.221 1.009 . . . . 73.209999999999994 109.292 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -160.53 -177.26 6.08 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.12 1.368 . . . . 72.5 108.803 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.64 158.04 13.34 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.271 0.629 . . . . 75.310000000000002 110.66 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.97 146.96 9.19 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.12 -0.822 . . . . 71.040000000000006 112.595 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt 89.94 -3.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 126.569 1.948 . . . . 75.109999999999999 110.748 -170.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -66.11 144.32 56.76 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.978 0.418 . . . . 64.120000000000005 110.889 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -112.86 134.53 54.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.668 0.787 . . . . 63.200000000000003 110.11 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 6.5 p-10 -93.27 155.91 17.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.473 -0.936 . . . . 74.409999999999997 108.473 171.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -117.92 63.74 0.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.189 0.518 . . . . 52.439999999999998 110.568 -173.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.478 HG23 ' HA ' ' A' ' 15' ' ' GLN . 98.9 m -86.11 119.01 25.93 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.059 -0.519 . . . . 73.420000000000002 109.994 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.09 161.53 27.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.735 1.214 . . . . 65.099999999999994 109.566 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -131.16 119.4 21.83 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.364 -0.606 . . . . 75.420000000000002 109.364 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 27.1 m -108.89 150.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.172 0.989 . . . . 64.049999999999997 109.073 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 t -94.86 -11.77 28.17 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.355 0.502 . . . . 71.209999999999994 112.355 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.608 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 37.6 m -145.34 155.21 43.05 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.236 0.614 . . . . 75.140000000000001 110.805 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.28 -37.79 78.54 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.798 1.239 . . . . 74.409999999999997 112.034 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -56.33 -48.63 76.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.686 0.794 . . . . 73.299999999999997 110.598 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 8.3 mm-40 -67.4 -25.54 65.99 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.217 -0.901 . . . . 62.329999999999998 110.909 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HA ' HG12 ' A' ' 40' ' ' VAL . 39.1 tp -70.15 -41.89 73.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.419 0.688 . . . . 63.020000000000003 111.023 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -63.51 -32.75 74.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.763 -0.653 . . . . 71.530000000000001 110.566 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.42 -48.64 39.67 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.594 -0.73 . . . . 74.510000000000005 110.697 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.3 p -68.45 -35.08 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 119.531 -0.271 . . . . 73.099999999999994 111.319 -173.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 78' ' ' VAL . 3.6 mm? -72.92 -30.97 64.31 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.909 0.484 . . . . 71.430000000000007 111.547 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.98 -48.83 80.0 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.419 0.688 . . . . 71.439999999999998 110.171 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.14 -30.01 54.89 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.127 -0.488 . . . . 75.099999999999994 111.104 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 41' ' ' LEU . 26.4 tp -62.0 -33.96 75.31 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.625 0.77 . . . . 75.540000000000006 111.141 -175.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.97 -37.33 61.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.377 1.071 . . . . 71.310000000000002 111.755 174.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.74 -44.33 77.81 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.124 0.97 . . . . 75.209999999999994 110.76 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -67.39 -41.16 85.45 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.444 0.698 . . . . 73.209999999999994 111.89 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.41 -21.94 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.017 0.527 . . . . 72.329999999999998 110.184 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -70.59 -41.89 71.73 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.321 0.582 . . . . 72.430000000000007 109.857 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.5 -40.8 89.44 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.636 -1.166 . . . . 61.439999999999998 110.711 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -121.08 70.5 0.92 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.861 0.865 . . . . 63.32 108.927 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.47 79.88 0.91 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-N 114.714 -1.13 . . . . 53.43 111.872 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 18' ' ' ASN . 7.2 m -66.74 154.72 40.01 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.544 0.737 . . . . 73.150000000000006 111.719 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -29.1 67.71 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 114.751 -1.113 . . . . 74.239999999999995 110.134 -175.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -136.99 126.62 25.33 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.392 -0.966 . . . . 55.210000000000001 108.392 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -137.71 116.26 12.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.208 0.603 . . . . 61.530000000000001 109.952 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.28 142.75 27.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.704 0.801 . . . . 70.200000000000003 109.895 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.9 m -140.03 120.47 14.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.589 0.756 . . . . 73.349999999999994 109.052 168.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -116.15 130.69 56.92 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.056 0.942 . . . . 64.319999999999993 110.057 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.43 HG12 HG22 ' A' ' 14' ' ' VAL . 21.6 mt -114.06 132.5 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.248 0.619 . . . . 70.430000000000007 109.776 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 m -64.69 106.64 1.23 Allowed 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.856 0.863 . . . . 61.530000000000001 110.834 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . . . -102.3 86.7 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.662 -1.154 . . . . 74.230000000000004 109.818 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' HD3' ' H ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -63.68 -25.27 68.14 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.056 -0.52 . . . . 63.039999999999999 110.782 -175.203 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 p -128.41 162.18 27.74 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 124.471 1.108 . . . . 55.299999999999997 108.658 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -62.04 -23.25 66.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.21 0.604 . . . . 72.340000000000003 110.754 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -50.92 71.54 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.135 0.974 . . . . 75.200000000000003 109.448 176.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.542 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 12.2 mm-40 -60.07 -42.93 95.59 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.393 1.058 . . . . 71.420000000000002 109.938 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -56.31 -44.59 80.07 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.793 0.837 . . . . 74.129999999999995 112.456 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -72.94 -53.42 11.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.153 0.581 . . . . 63.439999999999998 112.109 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 56.4 pttt -72.18 -30.4 64.94 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.381 -0.372 . . . . 62.329999999999998 111.994 -172.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.6 m-30 -86.13 -17.88 33.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.494 0.318 . . . . 72.040000000000006 111.837 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 89' ' ' VAL . . . -60.47 -44.16 96.19 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.08 -0.711 . . . . 73.400000000000006 109.08 167.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.52 70.44 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.484 -0.78 . . . . 71.439999999999998 112.004 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.46 -50.34 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.408 0.683 . . . . 75.230000000000004 110.534 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.41 -39.15 91.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.616 0.767 . . . . 75.349999999999994 112.302 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -63.47 -38.67 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.494 0.717 . . . . 70.140000000000001 109.934 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -65.28 -46.67 79.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.556 0.742 . . . . 71.5 111.099 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 41' ' ' LEU . 54.7 t -65.87 -48.86 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.894 0.878 . . . . 64.010000000000005 110.973 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -70.68 -21.25 62.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.524 0.564 . . . . 71.530000000000001 112.524 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -33.86 72.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.848 0.459 . . . . 73.340000000000003 110.503 176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.24 -11.37 60.26 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 63.509999999999998 111.636 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.94 -25.91 13.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.26 1.024 . . . . 52.539999999999999 110.266 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.26 122.41 1.28 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 110.635 -0.986 . . . . 72.430000000000007 110.635 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -66.38 -9.73 36.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.588 1.155 . . . . 72.439999999999998 112.607 -172.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.1 157.6 30.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.87 0.868 . . . . 71.400000000000006 111.417 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.36 130.35 42.78 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 107.471 -1.307 . . . . 72.310000000000002 107.471 166.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.592 ' HB ' HG13 ' A' ' 76' ' ' ILE . 38.9 mm -89.99 150.3 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.348 0.659 . . . . 71.230000000000004 110.363 -170.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.47 ' HA ' ' HB2' ' A' ' 102' ' ' LEU . 40.1 t30 -87.38 132.7 33.88 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.995 0.518 . . . . 73.420000000000002 110.039 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.593 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.2 p -133.31 143.33 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.159 0.984 . . . . 73.040000000000006 109.416 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -147.02 148.06 31.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.683 1.193 . . . . 51.109999999999999 108.231 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.527 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 30.5 m-90 -119.48 117.18 27.75 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.952 0.501 . . . . 74.540000000000006 109.862 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.13 -47.18 74.96 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.435 0.635 . . . . 74.109999999999999 109.974 172.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.21 -70.39 0.31 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.691 -1.364 . . . . 72.129999999999995 109.691 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.78 2.67 55.85 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.079 0.552 . . . . 63.299999999999997 110.951 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 m -144.44 148.78 35.02 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 109.248 -0.649 . . . . 61.25 109.248 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.6 p -113.48 126.62 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.994 0.917 . . . . 61.310000000000002 109.431 172.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.6 m -108.26 137.02 46.95 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 61.409999999999997 110.136 176.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.62 114.19 24.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.783 -1.192 . . . . 72.239999999999995 107.783 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.59 117.76 8.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.24 0.616 . . . . 74.349999999999994 109.773 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.92 -149.11 39.06 Favored Glycine 0 C--N 1.345 1.059 0 O-C-N 123.425 0.453 . . . . 73.150000000000006 113.227 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 87' ' ' ILE . 14.9 pm0 -128.52 142.79 50.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.406 0.683 . . . . 64.209999999999994 110.503 -176.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 88' ' ' ASN . 47.9 tp -88.67 110.82 21.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.585 0.754 . . . . 75.450000000000003 109.683 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.38 142.37 32.42 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.457 1.103 . . . . 35.340000000000003 108.679 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.53 -151.43 23.54 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 111.166 -0.774 . . . . 53.130000000000003 111.166 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 t 63.74 92.33 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.72 1.208 . . . . 35.420000000000002 110.689 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 108.556 -0.905 . . . . 50.210000000000001 108.556 -179.838 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.074 -0.343 . . . . 71.129999999999995 110.074 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -73.31 141.95 47.13 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.441 -0.948 . . . . 74.450000000000003 108.441 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -58.93 -28.65 66.45 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.088 0.555 . . . . 65.200000000000003 111.641 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -87.34 3.75 45.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.935 0.894 . . . . 74.340000000000003 111.965 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -65.12 -18.61 65.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.945 -0.472 . . . . 51.520000000000003 111.761 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -125.5 162.2 25.43 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.13 1.372 . . . . 74.299999999999997 108.479 173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -59.65 -42.19 92.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.15 0.58 . . . . 71.409999999999997 111.198 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -70.62 74.27 0.56 Allowed 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.894 0.746 . . . . 74.109999999999999 110.349 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -73.22 -48.92 30.99 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.494 0.718 . . . . 71.010000000000005 110.351 -175.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 -56.59 4.91 Favored Glycine 0 C--N 1.352 1.448 0 O-C-N 123.672 0.608 . . . . 41.020000000000003 112.73 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -70.94 162.79 28.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 71.299999999999997 111.322 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.425 ' HB ' HG23 ' A' ' 31' ' ' VAL . 46.2 mt -101.94 102.97 14.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.092 -1.077 . . . . 74.439999999999998 108.092 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -87.69 119.43 28.0 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.048 -0.723 . . . . 75.120000000000005 109.048 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.49 123.68 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.122 0.969 . . . . 54.210000000000001 109.479 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -127.38 120.97 29.7 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.242 -1.022 . . . . 71.120000000000005 108.242 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.6 t-20 -103.58 123.5 47.07 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.652 -0.87 . . . . 73.510000000000005 108.652 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.633 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 6.5 m-20 -117.86 109.66 16.82 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 108.653 -0.869 . . . . 73.519999999999996 108.653 173.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -99.37 113.6 26.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 105.485 -2.042 . . . . 75.239999999999995 105.485 171.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.639 HG22 ' HG2' ' A' ' 55' ' ' ARG . 11.2 t -93.13 122.58 35.66 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.851 0.834 . . . . 74.230000000000004 109.493 -169.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -164.31 171.13 15.26 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.25 -1.341 . . . . 75.120000000000005 109.61 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.78 109.27 1.18 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.011 0.525 . . . . 75.329999999999998 110.166 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.4 -64.85 0.55 Allowed Glycine 0 C--N 1.337 0.6 0 N-CA-C 110.87 -0.892 . . . . 72.319999999999993 110.87 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.23 8.91 2.93 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.131 1.372 . . . . 61.119999999999997 113.751 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -86.05 94.36 9.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.469 0.708 . . . . 63.5 110.148 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.506 ' CE1' ' HA ' ' A' ' 17' ' ' ASN . 48.0 p90 -168.08 177.68 5.44 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 72.319999999999993 110.55 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -127.69 -65.05 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.064 0.945 . . . . 75.239999999999995 109.539 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.4 m-85 57.28 37.7 28.3 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.13 0.972 . . . . 71.129999999999995 111.468 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -102.43 129.59 48.96 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.857 -1.065 . . . . 44.130000000000003 110.273 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -128.24 147.13 50.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.472 1.109 . . . . 72.219999999999999 108.465 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.1 m -129.75 104.62 7.52 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.65 -1.241 . . . . 73.019999999999996 107.65 172.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 12' ' ' ILE . 35.9 m -113.64 128.92 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.645 0.778 . . . . 73.430000000000007 109.493 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -93.89 -12.14 29.53 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.208 0.603 . . . . 60.340000000000003 110.484 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.716 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 90.5 m -128.0 138.68 52.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.782 0.833 . . . . 75.209999999999994 109.429 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 44.7 mt-10 -65.62 -29.94 70.58 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.203 1.001 . . . . 70.530000000000001 111.755 -176.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 m -60.08 -40.13 88.5 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.32 0.648 . . . . 63.530000000000001 110.98 175.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.716 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 3.7 mm-40 -68.91 -33.32 73.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.348 0.659 . . . . 75.430000000000007 110.063 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 40' ' ' VAL . 51.5 tp -63.05 -40.01 96.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.721 0.808 . . . . 64.5 110.948 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.22 -36.42 84.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.497 0.719 . . . . 61.140000000000001 110.876 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -65.73 -53.06 45.88 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.607 0.763 . . . . 74.239999999999995 110.582 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 37' ' ' LEU . 21.2 m -67.51 -27.15 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 123.818 0.698 . . . . 62.140000000000001 111.758 -172.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.4 mm? -74.78 -36.77 62.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.512 0.725 . . . . 53.43 111.317 176.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -70.1 -38.44 75.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.076 0.55 . . . . 71.019999999999996 110.735 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.49 -36.61 44.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.917 0.487 . . . . 75.439999999999998 110.632 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 16' ' ' ASN . 42.7 tp -59.91 -36.34 76.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.874 0.87 . . . . 70.340000000000003 110.868 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.5 ttpt -45.05 -49.81 11.26 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.808 1.643 . . . . 71.209999999999994 111.815 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.29 -38.42 89.3 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.951 0.782 . . . . 73.109999999999999 111.543 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.91 -39.66 55.82 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.999 0.92 . . . . 73.010000000000005 112.033 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.47 -41.79 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.519 0.676 . . . . 73.349999999999994 109.238 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HB2' HD22 ' A' ' 82' ' ' LEU . 70.6 tttt -67.82 -39.7 83.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.209 -1.36 . . . . 73.439999999999998 110.714 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -67.87 -37.4 81.75 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.005 -0.998 . . . . 72.209999999999994 111.199 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -70.74 89.31 0.74 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.028 -1.101 . . . . 71.430000000000007 108.028 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.71 74.13 0.77 Allowed Glycine 0 C--N 1.349 1.268 0 O-C-N 124.106 0.879 . . . . 43.149999999999999 113.323 -173.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.0 m -140.57 -13.24 1.0 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.806 1.242 . . . . 74.549999999999997 109.458 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt 55.55 70.43 0.63 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.703 1.601 . . . . 75.420000000000002 112.628 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HG2' HG22 ' A' ' 19' ' ' THR . 5.7 tpp180 -141.16 139.65 33.93 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 114.986 -1.006 . . . . 70.519999999999996 109.109 171.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 99' ' ' GLU . 24.6 p -114.91 118.9 34.79 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.679 1.192 . . . . 61.43 108.868 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.633 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 30.8 ttm180 -150.3 110.31 4.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.593 -0.521 . . . . 74.420000000000002 109.593 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 97' ' ' THR . 96.0 m -135.15 121.37 20.18 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 109.193 -0.669 . . . . 71.310000000000002 109.193 173.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m -95.21 120.89 36.21 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.868 1.355 . . . . 64.25 109.172 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.39 126.15 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 123.544 0.737 . . . . 73.010000000000005 109.136 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 53.0 m -67.82 114.68 6.6 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 120.897 0.379 . . . . 34.240000000000002 110.436 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.16 107.63 18.34 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.268 1.027 . . . . 61.210000000000001 108.347 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.21 -27.14 68.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.972 0.509 . . . . 75.340000000000003 111.062 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -132.55 163.48 28.75 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.205 1.002 . . . . 32.020000000000003 109.376 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.1 ptpp? -67.3 -21.18 65.69 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.671 0.388 . . . . 73.209999999999994 110.958 174.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HD2' ' HG3' ' A' ' 65' ' ' LYS . 4.2 mptp? -65.89 -39.93 91.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.106 0.962 . . . . 74.310000000000002 109.785 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.8 mt-10 -68.97 -37.36 78.74 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.51 -1.223 . . . . 62.109999999999999 110.874 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.07 71.07 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.788 0.68 . . . . 74.150000000000006 111.997 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 35.2 mm-40 -79.36 -49.84 11.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.947 0.499 . . . . 64.219999999999999 111.973 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -69.23 -29.1 66.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.449 -0.341 . . . . 73.209999999999994 110.861 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.1 m-30 -88.92 -19.38 25.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.943 0.497 . . . . 71.340000000000003 111.791 177.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.47 -45.97 91.78 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.037 -1.097 . . . . 63.509999999999998 108.037 167.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -57.44 -44.0 84.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 124.279 0.987 . . . . 71.209999999999994 111.2 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.46 -52.18 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.347 0.659 . . . . 55.310000000000002 110.781 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.9 -49.93 75.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.929 0.891 . . . . 72.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.499 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -54.78 -41.26 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.85 0.86 . . . . 64.120000000000005 110.854 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.5 mtpt -68.4 -42.23 79.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.455 0.702 . . . . 64.040000000000006 111.895 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 41' ' ' LEU . 72.5 t -65.75 -45.93 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.281 0.632 . . . . 75.340000000000003 110.651 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CD1' HD12 ' A' ' 82' ' ' LEU . 55.2 m-85 -73.39 -18.23 61.18 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.733 -0.667 . . . . 71.349999999999994 112.138 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.25 77.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.077 0.551 . . . . 64.349999999999994 110.756 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -78.48 -19.03 53.95 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.495 0.718 . . . . 64.120000000000005 111.142 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 49' ' ' LYS . 76.8 mt -91.31 -23.09 20.23 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.756 0.822 . . . . 73.109999999999999 111.414 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.47 156.0 23.38 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.305 0.378 . . . . 61.130000000000003 112.314 177.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.07 -9.3 58.11 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.561 0.744 . . . . 72.439999999999998 110.648 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.83 135.69 47.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.957 0.903 . . . . 75.140000000000001 110.612 172.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.15 131.15 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.896 0.747 . . . . 72.129999999999995 109.277 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.499 ' HB ' HG13 ' A' ' 76' ' ' ILE . 11.9 mm -84.99 133.26 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.287 0.635 . . . . 73.329999999999998 110.495 -168.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.647 ' HA ' ' HB2' ' A' ' 102' ' ' LEU . 46.4 t30 -89.15 145.34 25.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.931 0.492 . . . . 75.219999999999999 109.683 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.2 p -132.6 121.88 46.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.631 0.772 . . . . 62.329999999999998 109.014 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -130.44 132.44 45.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.966 0.906 . . . . 51.039999999999999 109.351 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -101.21 113.11 25.85 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.188 -1.041 . . . . 61.520000000000003 108.188 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.48 -36.76 60.56 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.885 0.874 . . . . 60.43 110.749 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.28 101.98 2.37 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 108.838 -1.705 . . . . 74.439999999999998 108.838 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 72.45 2.67 4.43 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.574 1.55 . . . . 63.549999999999997 112.171 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -145.36 148.93 33.92 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.414 1.086 . . . . 72.200000000000003 108.225 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.9 109.24 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 108.663 -0.866 . . . . 63.109999999999999 108.663 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' THR . 96.9 m -100.77 126.09 47.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.341 0.656 . . . . 73.310000000000002 110.255 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 57' ' ' ARG . 14.3 t -92.17 121.08 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 107.143 -1.429 . . . . 74.219999999999999 107.143 165.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 56' ' ' SER . 3.6 tm-20 -133.64 119.02 18.87 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.224 -0.658 . . . . 65.129999999999995 109.224 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.97 -148.07 50.79 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 123.41 0.444 . . . . 70.010000000000005 113.406 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -111.8 148.01 34.49 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.658 0.783 . . . . 71.140000000000001 111.009 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' A' ' 88' ' ' ASN . 50.0 tp -91.18 139.95 30.27 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.037 0.935 . . . . 55.439999999999998 109.388 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.2 28.89 4.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.286 1.035 . . . . 65.109999999999999 109.265 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.576 ' H ' ' HG ' ' A' ' 102' ' ' LEU . . . -77.39 68.5 2.67 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.668 0.651 . . . . 73.239999999999995 112.743 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 m -105.51 138.51 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.557 1.143 . . . . 53.119999999999997 109.096 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 123.295 0.638 . . . . 72.120000000000005 110.114 -179.332 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.363 -0.606 . . . . 71.299999999999997 109.363 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.94 142.55 36.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.133 0.973 . . . . 63.240000000000002 108.441 170.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -66.21 -38.35 87.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.85 0.86 . . . . 70.310000000000002 110.387 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -146.97 174.09 11.83 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.85 -1.068 . . . . 71.239999999999995 109.148 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -145.04 -71.43 0.27 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.867 -0.42 . . . . 74.109999999999999 109.867 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -140.64 -80.53 0.26 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.317 0.647 . . . . 64.140000000000001 109.283 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.09 -176.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.921 1.688 . . . . 73.109999999999999 107.875 -175.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HG3' HD11 ' A' ' 12' ' ' ILE . 11.5 mmt180 -134.44 104.5 6.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.163 -1.051 . . . . 74.230000000000004 108.163 169.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.04 111.06 1.18 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.743 1.217 . . . . 74.019999999999996 110.029 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 91.34 0.73 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.439 -1.464 . . . . 44.310000000000002 109.439 -166.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.05 150.93 23.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.418 1.087 . . . . 72.25 112.907 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD11 ' HG3' ' A' ' 8' ' ' ARG . 19.4 mt -95.72 105.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.279 -0.873 . . . . 73.400000000000006 109.218 -175.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -86.34 137.93 32.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.418 -0.586 . . . . 73.340000000000003 109.418 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 28' ' ' THR . 63.5 t -118.35 107.23 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.684 -1.228 . . . . 74.230000000000004 107.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.485 ' HG2' HG23 ' A' ' 28' ' ' THR . 45.0 mt-30 -106.36 107.32 18.27 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.914 -0.402 . . . . 75.319999999999993 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.5 t-20 -105.4 139.28 40.26 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.458 -0.571 . . . . 63.310000000000002 109.458 173.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -114.85 108.76 17.17 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.071 -1.455 . . . . 72.510000000000005 107.071 172.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -100.84 142.69 31.96 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.876 -0.786 . . . . 75.540000000000006 108.876 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 54' ' ' LYS . 40.8 p -94.73 124.05 38.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.569 -0.741 . . . . 75.239999999999995 110.314 -171.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.3 m 66.48 72.93 0.37 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.709 1.204 . . . . 72.140000000000001 111.113 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 28.5 t30 -85.76 123.28 30.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.172 -0.922 . . . . 71.129999999999995 109.611 177.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.19 -74.07 0.63 Allowed Glycine 0 C--N 1.349 1.262 0 O-C-N 123.978 0.799 . . . . 33.399999999999999 111.478 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -158.9 98.19 1.46 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.148 0.979 . . . . 74.310000000000002 109.476 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -159.44 172.11 18.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.683 0.793 . . . . 72.010000000000005 109.343 168.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -73.41 173.51 9.5 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.233 0.613 . . . . 73.019999999999996 111.261 -176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.06 145.08 52.12 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.667 -0.697 . . . . 70.420000000000002 111.442 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.479 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 -90.6 12.07 20.02 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.005 -0.998 . . . . 74.420000000000002 110.432 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 15' ' ' GLN . 87.7 m -93.05 118.75 31.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.948 0.899 . . . . 72.329999999999998 109.449 170.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.2 130.12 38.67 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.159 0.984 . . . . 73.439999999999998 108.738 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.8 m -97.43 109.56 22.29 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.87 -0.789 . . . . 52.399999999999999 108.87 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 30.8 m -101.01 133.99 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.793 0.837 . . . . 74.439999999999998 109.468 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.8 t -88.35 -14.0 39.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.438 0.532 . . . . 75.120000000000005 112.438 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.6 m -142.63 155.76 44.99 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.47 0.708 . . . . 72.239999999999995 109.792 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.3 -30.57 71.68 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.69 1.196 . . . . 50.310000000000002 112.047 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 p -59.6 -49.53 77.4 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.781 0.675 . . . . 74.349999999999994 109.524 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.2 mm-40 -58.51 -32.94 69.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.324 1.05 . . . . 64.319999999999993 111.497 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HA ' HG12 ' A' ' 40' ' ' VAL . 5.9 tt -74.49 -40.99 61.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.015 0.526 . . . . 74.209999999999994 110.929 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -58.19 -42.23 85.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.343 0.657 . . . . 74.409999999999997 110.374 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.95 -52.97 57.26 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.019 -0.991 . . . . 74.140000000000001 110.856 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 37' ' ' LEU . 4.8 p -68.73 -30.52 47.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 123.435 0.459 . . . . 61.420000000000002 111.686 -172.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 78' ' ' VAL . 1.6 mm? -73.28 -39.72 65.15 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.039 0.535 . . . . 72.25 111.37 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.63 -35.57 80.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.563 -0.744 . . . . 71.239999999999995 110.966 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.54 -39.61 18.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.469 0.308 . . . . 73.010000000000005 111.789 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.2 -29.43 70.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.409 0.684 . . . . 72.099999999999994 110.349 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' HD21 ' A' ' 82' ' ' LEU . 39.3 ttpt -43.28 -45.58 5.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.67 1.588 . . . . 63.049999999999997 111.727 170.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.92 -45.3 64.48 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.619 -1.173 . . . . 70.439999999999998 111.574 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.83 -39.89 93.4 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.568 0.747 . . . . 75.209999999999994 111.542 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -66.09 -48.63 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.915 0.886 . . . . 75.450000000000003 110.145 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.633 ' HB2' HD22 ' A' ' 82' ' ' LEU . 58.9 tttp -75.26 -22.51 57.76 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.35 0.5 . . . . 61.299999999999997 112.35 -177.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -61.45 -33.33 73.56 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.98 0.895 . . . . 61.549999999999997 109.805 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 21' ' ' ASN . 36.5 mt-30 -118.23 -150.56 0.46 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.994 1.718 . . . . 74.0 107.731 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.28 88.7 1.59 Allowed Glycine 0 C--N 1.344 1.022 0 CA-C-N 118.285 0.493 . . . . 74.439999999999998 112.393 173.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.6 p -78.0 -23.91 48.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.72 . . . . 51.240000000000002 110.645 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HB2' HG21 ' A' ' 19' ' ' THR . 60.8 mttp -130.65 -157.52 0.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.575 1.55 . . . . 74.5 107.619 171.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.7 150.45 20.67 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.998 -0.439 . . . . 73.200000000000003 109.925 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.9 m -100.98 149.13 24.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.593 0.757 . . . . 54.130000000000003 111.474 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -105.39 150.21 25.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.392 1.077 . . . . 75.019999999999996 109.725 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.3 m -140.18 131.42 26.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.883 0.473 . . . . 74.510000000000005 110.042 165.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 t -117.25 119.89 36.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.785 -1.191 . . . . 53.149999999999999 107.785 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.469 HD13 HD11 ' A' ' 37' ' ' LEU . 41.8 mt -111.68 140.68 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.737 0.815 . . . . 65.239999999999995 109.713 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -58.06 105.89 0.32 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.829 1.251 . . . . 60.130000000000003 112.225 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.67 100.93 12.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.174 0.99 . . . . 61.299999999999997 110.016 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.547 ' HB2' ' HG3' ' A' ' 67' ' ' GLU . 39.5 mmt180 -70.45 -36.78 74.14 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.428 -0.806 . . . . 63.240000000000002 110.535 177.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.5 p -135.3 176.92 8.23 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.625 1.17 . . . . 61.43 109.085 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.475 0.484 . . . . 65.219999999999999 110.202 169.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.89 -45.19 95.58 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.808 0.843 . . . . 62.43 111.022 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 28.8 mm-40 -62.34 -43.17 99.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.369 0.604 . . . . 74.540000000000006 110.337 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -60.27 -48.96 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.918 -1.492 . . . . 71.319999999999993 112.188 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.47 -31.24 33.07 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.019 0.527 . . . . 62.539999999999999 111.933 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 58.9 pttt -73.18 -36.07 66.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.655 0.264 . . . . 72.140000000000001 110.354 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' A' ' 74' ' ' ILE . 19.3 m-30 -88.99 -18.34 27.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.99 0.516 . . . . 74.530000000000001 111.783 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.464 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -62.88 -40.98 99.16 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 108.66 -0.867 . . . . 71.549999999999997 108.66 166.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.93 88.09 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.636 -0.711 . . . . 41.149999999999999 111.205 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' A' ' 71' ' ' PHE . 58.0 mt -62.87 -62.83 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.267 0.627 . . . . 73.109999999999999 110.018 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 41' ' ' LEU . 97.8 mt -53.57 -40.4 65.57 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.581 1.152 . . . . 72.200000000000003 113.131 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.763 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -62.04 -48.15 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.168 0.587 . . . . 73.340000000000003 110.413 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -71.04 -35.48 71.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.263 0.625 . . . . 72.030000000000001 112.146 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG21 HD12 ' A' ' 41' ' ' LEU . 76.7 t -63.92 -49.84 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.661 0.784 . . . . 74.230000000000004 109.885 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -82.79 -17.95 42.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.213 -0.903 . . . . 64.439999999999998 111.952 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.16 80.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.609 0.764 . . . . 74.109999999999999 110.631 172.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.08 -33.09 65.41 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.82 -1.082 . . . . 64.439999999999998 110.37 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.633 HD22 ' HB2' ' A' ' 49' ' ' LYS . 31.5 mt -73.59 -26.81 60.98 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.895 -0.593 . . . . 71.209999999999994 112.122 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.01 -133.42 2.42 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.313 -0.715 . . . . 54.140000000000001 111.313 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -76.13 147.21 38.71 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.823 -1.177 . . . . 71.030000000000001 107.823 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -64.4 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.358 0.663 . . . . 73.230000000000004 111.479 -173.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.3 123.67 23.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.583 0.753 . . . . 73.400000000000006 109.472 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.2 mm -127.92 152.56 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.174 0.989 . . . . 64.219999999999999 109.941 -175.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -85.97 112.28 21.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.117 0.567 . . . . 73.219999999999999 109.644 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.763 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.3 p -107.53 130.46 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.317 0.647 . . . . 75.439999999999998 110.074 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -133.83 141.53 47.46 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.001 -1.111 . . . . 72.140000000000001 108.001 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.57 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 24.4 m-90 -114.87 114.08 25.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.362 -0.977 . . . . 74.329999999999998 108.362 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.93 -53.99 26.51 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.928 0.891 . . . . 74.409999999999997 110.47 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.34 -54.66 0.67 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.71 -1.356 . . . . 42.299999999999997 109.71 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.21 -16.57 34.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.35 0.66 . . . . 74.409999999999997 110.402 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 p -145.06 151.87 39.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.924 0.89 . . . . 70.450000000000003 111.518 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.7 p -97.66 113.77 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 N-CA-C 108.971 -0.752 . . . . 55.509999999999998 108.971 165.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 m -103.77 104.68 14.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.771 0.828 . . . . 74.219999999999999 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 72.7 t -112.18 125.63 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.697 0.799 . . . . 64.0 109.224 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.3 155.65 35.52 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 124.558 1.143 . . . . 74.439999999999998 108.477 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.94 162.16 22.9 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.395 0.434 . . . . 65.219999999999999 112.955 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.89 106.74 12.36 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.065 -0.717 . . . . 71.439999999999998 109.065 -171.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.94 101.81 11.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.239 1.016 . . . . 72.409999999999997 108.871 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -98.36 107.84 20.4 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.941 0.496 . . . . 61.030000000000001 111.017 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.5 15.51 7.16 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.752 -0.658 . . . . 73.5 112.023 172.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.1 m -130.84 159.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.045 0.938 . . . . 72.530000000000001 110.447 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.958 0.903 . . . . 65.310000000000002 109.061 179.047 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.237 0.444 0 N-CA-C 108.853 -0.795 . . . . 71.03 108.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -102.33 103.93 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.076 0.951 . . . . 64.22 108.854 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.5 HE21 ' NE2' ' A' ' 15' ' ' GLN . 53.6 tt0 -89.46 106.04 18.19 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.49 0.716 . . . . 73.01 109.603 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.8 t -92.69 122.28 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.36 1.064 . . . . 74.01 108.46 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.5 ' NE2' HE21 ' A' ' 13' ' ' GLN . 93.1 mt-30 -128.04 122.09 31.32 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.321 0.649 . . . . 65.03 110.092 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.562 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 26.8 t-20 -114.25 129.35 56.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.629 0.772 . . . . 73.13 109.254 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -121.6 126.92 50.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.457 -1.312 . . . . 52.43 107.457 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 123.226 0.61 . . . . 61.12 111.095 -168.669 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 1.4 m-85 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.433 0.635 . . . . 72.42 111.555 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.8 m -121.75 119.26 31.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.006 0.922 . . . . 64.53 109.64 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -138.3 125.88 22.1 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.907 0.883 . . . . 74.54 109.663 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -107.82 111.3 23.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.566 0.746 . . . . 74.42 109.518 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -116.13 129.67 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.733 0.813 . . . . 71.15 110.669 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 t -88.84 -7.37 56.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.017 0.527 . . . . 72.21 110.548 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' SER . 30.7 m -140.81 137.56 33.41 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.321 0.648 . . . . 75.53 109.723 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.16 -16.02 63.03 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.054 0.761 . . . . 73.03 113.054 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.511 ' H ' HG22 ' A' ' 33' ' ' THR . 24.3 m -58.25 -41.57 84.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 122.891 0.476 . . . . 74.24 110.464 172.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 16.2 mm-40 -75.74 -34.95 60.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.064 0.946 . . . . 73.34 111.129 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.77 -35.01 42.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.382 1.073 . . . . 63.33 112.068 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.01 -47.02 81.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.4 0.68 . . . . 71.44 111.294 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -67.87 -33.57 75.0 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.887 -0.597 . . . . 64.51 111.502 179.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.66 -55.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 123.778 0.674 . . . . 44.05 109.64 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.566 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -70.39 -27.72 64.53 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.99 0.806 . . . . 75.15 112.737 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.48 -54.8 41.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.641 0.376 . . . . 71.42 110.459 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.58 -35.77 60.52 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.482 0.488 . . . . 64.1 110.999 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' HD11 ' A' ' 48' ' ' ILE . 30.0 tp -64.27 -49.25 72.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.653 0.781 . . . . 71.31 110.496 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.1 ttpt -52.37 -47.33 66.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.618 1.167 . . . . 64.43 111.779 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.32 -43.21 74.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.291 -1.322 . . . . 63.33 111.065 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -72.51 -49.8 30.33 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 123.558 0.743 . . . . 54.13 110.935 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.418 HD11 ' HG ' ' A' ' 44' ' ' LEU . 87.4 mt -53.2 -32.27 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.169 0.987 . . . . 61.14 111.53 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' HD22 ' A' ' 82' ' ' LEU . 84.1 tttt -60.81 -41.88 96.55 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.477 -0.783 . . . . 70.3 111.807 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? . . . . . 0 N--CA 1.481 1.095 0 C-N-CA 123.026 0.531 . . . . 65.45 111.494 177.64 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.512 0.672 . . . . 74.23 112.713 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -137.87 154.31 49.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.001 1.32 . . . . 75.31 108.513 168.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -93.67 150.06 20.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.564 0.746 . . . . 61.24 110.276 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.1 m -139.69 147.26 40.7 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.007 -1.109 . . . . 52.03 108.007 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -145.0 123.52 12.42 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.152 -1.055 . . . . 74.54 108.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.535 HG21 ' CD2' ' A' ' 71' ' ' PHE . 33.7 mt -115.01 133.0 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.606 1.162 . . . . 75.5 109.387 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.6 m -72.58 104.06 3.75 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.51 0.506 . . . . 65.31 110.443 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.4 130.44 42.19 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.356 -0.979 . . . . 61.34 108.356 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -83.12 -25.27 32.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.163 0.506 . . . . 72.14 110.179 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 p -133.38 151.12 51.81 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 124.041 0.937 . . . . 72.14 108.625 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -67.41 -18.24 65.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.075 0.55 . . . . 71.33 111.332 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.68 -39.15 93.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.757 0.823 . . . . 73.4 109.93 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 48.3 mt-10 -72.25 -39.63 68.29 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.259 -0.882 . . . . 75.44 110.367 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.26 -34.3 60.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.302 0.641 . . . . 72.04 111.653 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 52.0 mt-10 -65.95 -48.31 71.76 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.751 0.82 . . . . 74.44 112.29 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 22.0 pttp -77.69 -30.16 51.75 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.261 -0.4 . . . . 72.43 111.66 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD2' HG21 ' A' ' 60' ' ' ILE . 24.6 m-85 -72.51 -30.66 64.69 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.935 0.334 . . . . 74.25 110.142 171.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -64.48 -43.28 94.67 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 109.857 -0.423 . . . . 54.4 109.857 171.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.28 70.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 72.53 111.282 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.78 -48.04 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 124.173 0.989 . . . . 61.04 111.074 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.06 -41.71 77.23 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.214 0.606 . . . . 61.32 111.535 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.66 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.7 mp -57.7 -43.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.802 0.841 . . . . 71.11 109.225 173.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.9 -45.47 92.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.874 0.734 . . . . 51.2 111.123 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.566 HG21 HD12 ' A' ' 41' ' ' LEU . 8.6 t -60.5 -51.13 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.787 1.235 . . . . 64.01 111.583 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.01 -20.57 60.98 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.234 -0.439 . . . . 64.34 111.469 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.01 -29.52 63.08 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.131 0.573 . . . . 60.13 111.085 176.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.89 -29.15 61.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.591 0.757 . . . . 45.51 110.237 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 49' ' ' LYS . 81.5 mt -78.53 -27.06 45.91 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.994 -0.548 . . . . 72.41 111.82 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.272 0 C-N-CA 121.357 -0.449 . . . . 73.33 112.832 178.826 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.66 ' HB ' HG13 ' A' ' 76' ' ' ILE . 49.0 mm . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.155 -0.683 . . . . 71.35 109.155 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -86.37 125.32 33.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.618 0.767 . . . . 73.44 109.341 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.609 ' HB ' HD11 ' A' ' 76' ' ' ILE . 3.4 p -135.4 144.05 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.382 1.073 . . . . 64.12 109.859 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 t -135.78 121.06 19.08 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.346 0.659 . . . . 64.51 109.336 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.419 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 14.1 m-90 -89.26 101.32 13.98 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.578 -0.737 . . . . 71.31 109.946 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.25 -63.76 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.607 -0.886 . . . . 74.32 108.607 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.34 -56.89 0.57 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 110.768 -0.933 . . . . 22.34 110.768 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -72.73 -26.1 61.45 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.194 0.597 . . . . 63.23 109.964 170.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 p -139.41 151.65 46.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.953 0.901 . . . . 73.34 110.939 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.6 p -117.34 109.65 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.398 -0.964 . . . . 73.1 108.398 165.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.1 m -96.45 114.36 26.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.317 0.647 . . . . 62.21 109.74 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.04 127.67 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.388 1.075 . . . . 54.2 109.547 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 107.85 -1.167 . . . . 74.23 107.85 173.28 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.24 0.592 0 CA-C-O 120.98 0.419 . . . . 73.13 111.364 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 71.0 mt -74.3 101.99 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.89 -1.152 . . . . 64.35 107.89 171.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' ILE . 59.8 tp60 -86.47 110.15 19.55 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.54 -0.754 . . . . 35.12 109.007 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -94.17 109.36 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 124.389 1.076 . . . . 63.31 108.337 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 58' ' ' THR . 34.8 tt0 -119.53 104.22 10.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.182 0.593 . . . . 74.31 109.62 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 27' ' ' TYR . 11.4 m120 -107.41 113.39 26.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.23 1.012 . . . . 70.04 108.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -115.69 124.84 51.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.631 0.773 . . . . 74.44 110.778 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 107.614 -1.254 . . . . 64.11 107.614 173.47 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 16' ' ' ASN . 91.2 m-85 . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 111.198 0.073 . . . . 62.52 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -138.38 127.05 23.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.377 -0.601 . . . . 65.23 109.377 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -134.5 155.43 50.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.929 0.891 . . . . 72.34 109.425 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m -129.17 105.97 8.52 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.823 -0.806 . . . . 72.31 108.823 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.9 m -117.57 135.51 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.853 0.861 . . . . 73.31 108.754 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -83.76 -25.23 30.67 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 122.069 -0.394 . . . . 70.32 110.163 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 35' ' ' SER . 14.4 m -118.06 147.42 43.27 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.531 0.732 . . . . 50.14 110.674 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.63 -31.97 73.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.282 1.033 . . . . 74.54 110.942 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 33' ' ' THR . 35.3 m -55.4 -45.87 76.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.639 1.176 . . . . 54.34 112.136 177.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.46 -43.86 96.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.976 0.911 . . . . 64.33 110.303 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.11 -35.42 80.69 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.112 -0.949 . . . . 70.32 112.18 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -62.6 -27.36 69.14 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.664 0.386 . . . . 74.25 111.369 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -54.16 7.06 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.22 -0.659 . . . . 74.32 109.22 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.63 -59.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.173 0 C-N-CA 124.541 1.136 . . . . 72.12 111.907 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.45 -35.46 80.99 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.386 0.884 . . . . 73.44 113.386 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -72.53 -35.11 68.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.165 0.186 . . . . 75.22 110.879 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.74 -31.19 26.13 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.294 -0.261 . . . . 75.32 110.294 175.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 47' ' ' TYR . 40.0 tp -66.97 -27.63 67.61 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.569 1.148 . . . . 72.34 110.888 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HB2' HG13 ' A' ' 78' ' ' VAL . 32.4 ttpt -46.48 -46.6 19.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.211 1.405 . . . . 62.33 111.121 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -76.33 -31.54 58.2 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.735 -1.12 . . . . 65.31 111.445 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.422 ' HB2' HD12 ' A' ' 44' ' ' LEU . 15.7 m-85 -65.85 -42.74 90.08 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.359 0.663 . . . . 65.13 111.261 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.5 -33.14 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.839 0.856 . . . . 63.32 109.733 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -67.76 -34.44 76.81 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.775 0.83 . . . . 64.33 110.695 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm . . . . . 0 N--CA 1.473 0.691 0 CA-C-N 115.191 -0.913 . . . . 71.22 110.359 179.506 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.531 HH12 ' HB2' ' A' ' 57' ' ' ARG . 1.9 tmm_? . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 107.541 -1.281 . . . . 71.51 107.541 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -140.77 131.72 26.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.617 0.767 . . . . 62.01 111.236 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.531 ' HB2' HH12 ' A' ' 55' ' ' ARG . 70.3 ttp85 -113.98 151.13 32.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.555 1.142 . . . . 65.3 109.587 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 18.5 m -140.79 109.2 5.86 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.871 0.468 . . . . 74.43 110.625 171.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 m -97.92 121.2 39.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.428 0.691 . . . . 74.54 109.228 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.497 HG21 ' CD2' ' A' ' 71' ' ' PHE . 53.8 mt -122.99 128.42 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.902 0.881 . . . . 60.23 110.168 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.469 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 27.7 m -69.62 122.89 20.0 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.314 0.384 . . . . 72.14 110.591 175.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.54 138.61 52.41 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.177 0.991 . . . . 72.22 108.35 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 -24.81 22.09 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.852 -0.425 . . . . 75.0 109.852 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.0 p -135.17 162.73 31.69 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.411 1.084 . . . . 74.14 110.002 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -72.19 -27.29 62.47 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.502 0.556 . . . . 64.43 112.502 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -67.05 -29.52 69.34 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.687 0.221 . . . . 64.23 110.677 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 65.7 mt-10 -73.47 -48.24 35.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.601 -0.518 . . . . 72.35 109.601 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.73 62.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.2 0.6 . . . . 73.42 112.23 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.25 -27.29 47.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.88 0.472 . . . . 74.11 111.709 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -77.06 -42.54 37.96 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 119.117 -0.468 . . . . 61.44 110.287 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD2' HG21 ' A' ' 60' ' ' ILE . 37.2 m-85 -66.16 -29.6 69.92 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.89 0.476 . . . . 75.13 110.229 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.85 -55.39 35.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.691 0.62 . . . . 64.5 109.764 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.96 77.62 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 124.102 0.876 . . . . 61.41 111.534 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 78' ' ' VAL . 95.3 mt -61.08 -51.78 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 124.045 0.938 . . . . 63.42 110.244 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.439 HD13 ' HB ' ' A' ' 98' ' ' VAL . 82.9 mt -63.31 -36.33 83.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.256 1.023 . . . . 73.11 113.011 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -44.02 92.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 109.034 -0.728 . . . . 70.44 109.034 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -69.2 -39.46 78.62 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.69 0.796 . . . . 72.43 111.868 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 45' ' ' LYS . 69.2 t -60.73 -50.55 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.776 0.83 . . . . 75.04 110.499 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -85.52 -16.55 39.12 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.523 -0.762 . . . . 61.42 112.572 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.46 85.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.494 0.317 . . . . 74.24 110.451 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.67 -21.2 65.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.989 -0.55 . . . . 74.31 111.258 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.36 -27.25 27.83 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.208 0.603 . . . . 60.11 110.311 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.03 0 CA-C-O 119.83 -0.428 . . . . 62.42 112.376 177.072 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.225 -0.657 . . . . 72.24 109.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.47 150.09 23.31 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.088 0.955 . . . . 74.32 109.745 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.56 146.21 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.475 0.71 . . . . 73.11 110.224 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 m -142.89 108.01 4.96 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.929 0.891 . . . . 75.24 108.971 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -88.52 100.13 12.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 108.231 -1.026 . . . . 74.02 108.231 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -138.74 128.89 25.51 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.258 1.023 . . . . 73.51 110.049 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 37.94 95.74 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 123.919 0.762 . . . . 74.42 113.322 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 60.3 19.54 9.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.788 1.235 . . . . 73.54 111.727 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 m -119.56 129.89 54.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.941 0.896 . . . . 74.25 109.028 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 71' ' ' PHE . 2.6 p -92.25 108.37 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 121.666 0.746 . . . . 53.15 109.469 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.8 m -102.41 100.45 10.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 71.13 108.86 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.439 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.8 t -93.45 125.01 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.756 0.822 . . . . 65.41 109.071 176.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 123.4 0.68 . . . . 72.25 109.631 -176.783 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.042 0.448 . . . . 74.13 111.076 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.526 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 18.2 mt -72.16 104.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 114.65 -1.159 . . . . 73.1 110.612 -170.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -87.24 116.28 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.948 -0.76 . . . . 74.52 108.948 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -107.79 121.96 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 63.31 108.275 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG2' HG23 ' A' ' 28' ' ' THR . 42.3 mt-30 -131.39 115.49 16.3 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.433 -0.58 . . . . 73.43 109.433 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 24.5 t-20 -104.51 112.13 25.07 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.775 -0.824 . . . . 75.12 108.775 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -118.14 110.69 17.9 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.878 -1.527 . . . . 71.22 106.878 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.658 HD21 HG12 ' A' ' 48' ' ' ILE . 79.2 m-20 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.198 -0.667 . . . . 51.22 109.198 -173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 39.0 m-85 . . . . . 0 CA--C 1.553 1.066 0 CA-C-O 121.275 0.559 . . . . 63.42 111.63 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 15' ' ' GLN . 89.3 m -107.31 124.78 50.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.023 0.929 . . . . 70.11 109.474 176.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -139.87 147.36 40.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.656 1.182 . . . . 73.12 108.274 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -128.37 108.12 10.31 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.586 0.63 . . . . 64.21 110.117 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 37' ' ' LEU . 24.9 m -113.24 148.03 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.225 1.01 . . . . 71.34 109.393 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -89.44 -22.76 22.35 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 118.014 0.37 . . . . 73.3 110.675 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -119.62 150.19 40.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.189 0.596 . . . . 51.32 110.982 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 1.3 mp0 -71.01 -32.58 69.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.989 1.316 . . . . 71.31 111.082 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.1 t -57.43 -44.97 85.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.082 0.953 . . . . 71.45 110.833 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -65.82 -35.38 80.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.056 0.942 . . . . 72.25 110.838 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.9 tt -68.29 -28.75 67.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.195 -0.911 . . . . 74.12 111.797 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.82 -28.73 69.76 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.982 0.513 . . . . 71.33 110.744 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -36.42 56.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.798 0.839 . . . . 72.1 110.134 174.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -58.82 -47.65 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.728 0.811 . . . . 63.34 110.537 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.485 HD13 HD23 ' A' ' 44' ' ' LEU . 4.2 mm? -73.51 -26.52 60.92 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.386 0.674 . . . . 53.22 112.012 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.89 -48.15 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.254 0.622 . . . . 74.33 110.183 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -33.22 59.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.155 0.582 . . . . 75.1 110.925 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.485 HD23 HD13 ' A' ' 41' ' ' LEU . 38.2 tp -64.25 -35.36 80.58 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.891 0.877 . . . . 71.5 110.995 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.6 -40.91 63.18 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.621 1.169 . . . . 70.23 111.39 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.56 -47.8 58.49 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.151 -0.931 . . . . 71.44 110.637 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.73 -30.84 70.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.704 0.802 . . . . 75.12 112.621 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.658 HG12 HD21 ' A' ' 18' ' ' ASN . 78.4 mt -81.89 -51.09 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.321 0.648 . . . . 75.42 110.346 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.4 tttt -66.17 -46.37 77.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.368 0.667 . . . . 70.11 112.402 -172.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt . . . . . 0 N--CA 1.474 0.755 0 C-N-CA 124.479 1.112 . . . . 64.4 111.253 -175.443 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.028 -0.36 . . . . 64.25 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 114.12 26.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.019 0.928 . . . . 73.12 109.241 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' HG23 ' A' ' 97' ' ' THR . 36.5 ttt180 -104.51 112.28 25.28 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.263 -0.643 . . . . 64.01 109.263 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 m -113.54 118.78 35.39 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.766 -0.828 . . . . 74.1 108.766 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.7 t -103.68 118.88 37.74 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.593 -1.262 . . . . 74.32 107.593 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.08 126.48 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.204 1.002 . . . . 74.13 109.708 -171.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.526 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 87.8 m -60.0 114.57 2.9 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.363 0.602 . . . . 53.43 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.94 108.78 17.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.013 1.325 . . . . 74.11 108.54 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -32.71 71.7 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.437 0.695 . . . . 74.51 110.762 -176.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.0 p -139.39 175.37 9.62 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.109 1.364 . . . . 75.13 108.4 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -75.46 -17.29 60.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 110.066 -0.346 . . . . 72.15 110.066 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -71.04 -34.31 71.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.564 0.746 . . . . 63.34 109.495 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mm-40 -67.63 -50.77 56.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 108.871 -0.789 . . . . 74.12 108.871 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.61 44.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.076 0.951 . . . . 55.34 112.471 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.89 -53.48 55.14 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.049 1.34 . . . . 61.15 111.303 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HE3' ' HG2' ' A' ' 34' ' ' GLU . 61.8 pttt -73.02 -36.73 67.03 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 119.267 -0.397 . . . . 74.0 111.228 -173.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.571 ' HA ' HD12 ' A' ' 74' ' ' ILE . 99.2 m-85 -71.14 -20.85 62.26 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.867 0.303 . . . . 74.33 111.349 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.53 76.54 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 109.148 -0.686 . . . . 63.13 109.148 170.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.46 70.66 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 118.146 0.43 . . . . 71.33 111.877 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 71' ' ' PHE . 97.8 mt -70.23 -41.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.497 1.119 . . . . 71.01 110.876 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD13 ' HB ' ' A' ' 98' ' ' VAL . 21.4 mt -79.02 -46.58 17.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.567 0.747 . . . . 74.12 112.144 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.52 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -52.81 -34.67 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.561 1.145 . . . . 74.2 110.4 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -35.36 76.91 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.933 0.893 . . . . 61.24 111.23 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 HD12 ' A' ' 41' ' ' LEU . 63.8 t -84.2 -43.15 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.037 0.935 . . . . 72.22 110.654 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -72.86 -21.92 60.86 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.124 0.569 . . . . 73.32 112.09 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.54 60.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.338 0.655 . . . . 34.41 111.119 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -82.02 -50.66 8.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.997 -0.547 . . . . 75.24 110.788 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 49' ' ' LYS . 30.3 mt -84.8 -28.23 26.29 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.031 -0.532 . . . . 74.54 111.686 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.698 0 CA-C-N 115.858 -0.61 . . . . 74.45 112.267 -176.87 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.52 HG13 HG13 ' A' ' 76' ' ' ILE . 49.9 mm . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.83 -0.433 . . . . 74.21 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -116.35 107.91 15.41 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.213 -1.032 . . . . 73.22 108.213 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 98' ' ' VAL . 7.3 p -109.99 135.81 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.371 0.668 . . . . 33.15 110.238 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -146.25 136.93 24.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.991 1.317 . . . . 70.22 108.874 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -101.29 119.98 39.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.751 -0.833 . . . . 74.3 108.751 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -73.97 -30.54 62.57 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.273 0.629 . . . . 70.12 110.201 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.08 -87.06 0.2 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.56 -1.016 . . . . 73.1 110.56 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.11 11.14 12.45 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.599 0.76 . . . . 73.55 111.258 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.8 m -145.54 150.89 37.24 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.694 1.197 . . . . 70.33 108.62 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.83 117.21 52.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.281 0.632 . . . . 65.11 110.276 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.464 HG23 ' HG3' ' A' ' 57' ' ' ARG . 18.5 m -90.48 116.81 28.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.656 0.782 . . . . 42.25 109.395 170.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG22 HG23 ' A' ' 89' ' ' VAL . 40.1 t -113.93 145.52 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 107.286 -1.376 . . . . 74.24 107.286 166.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.21 1.004 . . . . 65.02 110.102 -175.556 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' THR . 4.5 p30 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 121.489 0.661 . . . . 71.15 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.43 106.69 19.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 107.575 -1.268 . . . . 72.24 107.575 170.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.15 104.54 11.7 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.423 -0.584 . . . . 74.22 109.423 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' THR . 48.4 t -93.82 124.84 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.898 0.879 . . . . 64.43 108.715 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -133.62 151.38 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.436 0.694 . . . . 73.5 110.138 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -129.06 126.21 38.94 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.97 -1.122 . . . . 62.54 107.97 163.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -102.53 111.13 23.3 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.548 -1.279 . . . . 73.31 107.548 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 p30 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.351 0.596 . . . . 74.25 110.067 -176.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 113.203 0.816 . . . . 71.41 113.203 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 62.3 m -92.26 118.0 30.45 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.439 0.695 . . . . 63.45 109.483 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.9 123.17 39.84 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.524 -0.917 . . . . 74.13 108.524 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -97.19 104.11 16.1 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.539 -1.282 . . . . 73.24 107.539 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.46 123.87 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 109.11 -0.7 . . . . 73.23 109.11 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 12.7 t -86.55 -26.99 24.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 122.003 -0.436 . . . . 55.45 110.333 -173.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.443 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.8 m -106.52 143.62 34.38 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.229 0.612 . . . . 61.22 109.777 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.51 -30.44 70.12 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.303 0.641 . . . . 65.42 110.916 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 33' ' ' THR . 21.6 m -56.28 -38.64 71.47 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.039 0.935 . . . . 73.45 111.457 176.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 39.3 mt-10 -66.64 -42.77 86.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 115.441 -0.799 . . . . 55.24 110.308 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.404 HD11 HD13 ' A' ' 60' ' ' ILE . 9.2 tt -62.22 -30.29 70.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.138 -0.937 . . . . 75.11 111.394 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.58 -35.51 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.81 0.444 . . . . 73.12 111.664 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -33.91 26.97 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 118.919 -0.562 . . . . 64.22 111.689 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 37' ' ' LEU . 4.0 m -63.8 -26.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.184 0.447 . . . . 64.2 110.562 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD11 HD23 ' A' ' 75' ' ' LEU . 3.6 mm? -70.45 -38.92 74.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.868 0.467 . . . . 41.41 111.865 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.452 0.701 . . . . 72.42 110.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.1 -46.7 61.26 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.53 -0.759 . . . . 71.42 110.884 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HG ' HG13 ' A' ' 48' ' ' ILE . 28.9 tp -71.04 -22.0 62.19 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.57 0.748 . . . . 75.11 111.133 -174.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -50.01 -44.74 51.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.367 1.067 . . . . 63.41 111.298 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.87 -53.65 55.45 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.857 -1.065 . . . . 55.45 111.034 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.61 -43.11 90.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.854 0.862 . . . . 71.03 111.921 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.424 HG13 ' HG ' ' A' ' 44' ' ' LEU . 63.0 mt -60.76 -43.96 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.197 0.999 . . . . 72.21 109.826 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.21 -33.94 74.1 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.223 0.609 . . . . 75.12 110.897 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.477 0.901 0 C-N-CA 124.194 0.998 . . . . 65.45 112.0 -173.114 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 110.043 -0.355 . . . . 71.34 110.043 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 p -140.55 117.52 11.13 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.005 0.922 . . . . 72.25 109.278 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 97' ' ' THR . 37.2 ttt-85 -112.16 113.67 26.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.705 0.802 . . . . 73.02 109.564 -174.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.2 m -97.84 119.69 36.9 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.699 0.4 . . . . 55.05 110.574 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -113.96 120.41 40.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.041 0.936 . . . . 74.44 109.642 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.404 HD13 HD11 ' A' ' 37' ' ' LEU . 48.9 mt -111.43 127.02 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.214 1.006 . . . . 54.0 108.45 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.3 m -61.59 103.2 0.3 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.262 0.554 . . . . 74.03 111.116 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 96' ' ' VAL . . . -90.2 131.58 35.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.894 0.878 . . . . 73.5 109.693 176.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -88.25 -68.53 0.76 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.152 0.581 . . . . 73.32 109.657 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 67' ' ' GLU . 82.6 p -96.07 177.12 5.84 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 124.12 0.968 . . . . 74.22 110.269 175.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HG3' ' HD2' ' A' ' 66' ' ' LYS . 18.3 ptpt -65.8 -29.4 69.88 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.912 -0.403 . . . . 64.42 109.912 171.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HD2' ' HG3' ' A' ' 65' ' ' LYS . 4.7 mptp? -66.07 -29.86 70.28 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 123.606 0.762 . . . . 73.11 110.955 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 17.3 mm-40 -72.39 -47.42 49.48 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.426 -0.583 . . . . 74.11 109.426 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.427 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . . . -59.13 -34.65 72.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.159 0.983 . . . . 64.22 112.801 -175.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.43 -37.99 20.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.637 0.375 . . . . 71.4 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 60.5 pttt -81.8 -40.32 22.73 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 119.034 -0.507 . . . . 73.34 110.858 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 74' ' ' ILE . 88.9 m-85 -71.91 -23.26 61.45 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 118.119 0.418 . . . . 73.44 110.687 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.9 53.16 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.875 -0.787 . . . . 61.34 108.875 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' HD2' ' A' ' 77' ' ' LYS . . . -55.44 -46.2 76.76 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.998 0.812 . . . . 73.24 111.367 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 71' ' ' PHE . 96.6 mt -55.6 -36.02 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.489 1.116 . . . . 74.53 111.171 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 41' ' ' LEU . 87.7 mt -77.87 -46.64 20.82 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.018 0.527 . . . . 73.51 111.432 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.488 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.8 mp -59.16 -41.19 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.271 0.628 . . . . 62.42 111.293 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 73' ' ' ALA . 1.2 mpmm? -55.53 -38.07 68.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.045 0.938 . . . . 63.5 111.363 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 41' ' ' LEU . 90.0 t -79.85 -38.77 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.92 0.888 . . . . 71.11 111.283 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -79.63 -21.51 44.8 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.891 0.476 . . . . 73.51 111.999 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.19 62.62 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.803 0.335 . . . . 71.14 110.245 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.61 -29.45 27.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.368 0.667 . . . . 74.02 110.721 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.09 -12.74 43.28 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.684 0.794 . . . . 72.04 111.752 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.791 0 N-CA-C 110.457 -1.057 . . . . 41.34 110.457 -179.115 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.488 ' HB ' HG13 ' A' ' 76' ' ' ILE . 33.1 mm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.762 -0.829 . . . . 72.54 108.762 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.0 134.52 34.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.643 0.377 . . . . 72.01 111.57 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.39 141.26 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.39 1.076 . . . . 60.55 109.258 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.9 m -138.81 109.16 6.48 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.263 1.025 . . . . 73.33 108.757 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -86.86 99.59 11.94 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.858 -0.793 . . . . 70.01 108.858 175.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.29 130.64 56.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.094 -0.957 . . . . 72.25 109.15 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.34 31.67 81.54 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-O 119.332 -0.705 . . . . 75.45 113.005 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 65.32 12.42 8.06 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 125.229 1.412 . . . . 63.03 112.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 m -103.98 144.73 31.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.425 1.09 . . . . 62.41 108.715 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 62' ' ' ALA . 3.2 p -91.08 109.34 20.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 121.843 0.83 . . . . 64.34 108.971 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.408 HG21 ' NH1' ' A' ' 57' ' ' ARG . 7.4 m -121.23 123.77 43.04 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 114.993 -1.003 . . . . 54.44 109.419 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 76' ' ' ILE . 58.2 t -122.47 143.36 35.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.218 -0.66 . . . . 71.24 109.218 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 123.906 0.883 . . . . 72.44 109.112 -179.171 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.246 0.546 . . . . 75.13 110.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 58.1 mt -108.09 118.95 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.063 0.945 . . . . 74.52 109.445 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -80.77 146.45 30.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.809 0.844 . . . . 72.14 110.67 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 46.2 t -128.4 107.21 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 106.725 -1.583 . . . . 72.2 106.725 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 58' ' ' THR . 86.5 mt-30 -113.4 104.07 11.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.801 -0.814 . . . . 54.54 108.801 -176.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.681 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 27.4 t-20 -104.69 117.46 34.14 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.261 -0.644 . . . . 74.5 109.261 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -120.17 109.56 15.57 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.427 -0.953 . . . . 54.24 108.427 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 108.406 -0.961 . . . . 74.12 108.406 173.21 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.681 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 55.4 m-85 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 109.173 -0.677 . . . . 75.34 109.173 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.4 m -139.05 125.54 20.49 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.57 0.748 . . . . 74.41 109.438 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 67.4 m-85 -123.42 148.66 45.91 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.284 1.033 . . . . 71.42 108.259 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.2 m -129.95 108.0 9.78 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.328 -0.989 . . . . 51.54 108.328 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.604 HG21 ' HB2' ' A' ' 37' ' ' LEU . 33.5 m -104.75 160.74 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.516 0.727 . . . . 64.42 110.3 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 t -112.95 -13.89 13.08 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.049 0.54 . . . . 61.21 110.089 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.504 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 37.6 m -125.65 144.55 50.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.301 1.041 . . . . 70.24 109.999 -176.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.32 -38.24 89.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.293 1.037 . . . . 70.21 110.837 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.423 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 23.9 m -58.53 -44.02 89.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.21 -0.904 . . . . 54.14 111.643 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 52.6 mt-10 -60.53 -37.28 80.69 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.005 0.816 . . . . 44.11 110.92 178.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.604 ' HB2' HG21 ' A' ' 31' ' ' VAL . 7.9 tt -68.69 -35.58 77.38 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.818 -0.628 . . . . 74.2 110.865 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.99 -35.56 75.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.952 0.501 . . . . 74.31 110.767 174.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -71.14 -49.78 40.43 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.73 -0.668 . . . . 72.31 110.464 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.5 m -64.1 -27.48 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 123.004 0.19 . . . . 63.51 111.023 -176.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 78' ' ' VAL . 2.6 mm? -81.14 -36.21 30.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.946 0.898 . . . . 72.14 111.97 175.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.35 -43.73 88.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.378 0.671 . . . . 72.22 110.357 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.93 -35.91 28.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.184 -0.916 . . . . 63.22 111.205 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 30.5 tp -54.68 -36.62 64.83 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.997 0.919 . . . . 71.35 110.871 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -52.49 -43.66 65.17 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.566 1.546 . . . . 75.25 112.008 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 27.3 t70 -66.29 -41.62 89.54 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.197 0.999 . . . . 70.42 111.321 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -62.35 -49.1 76.91 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.748 0.655 . . . . 73.13 111.755 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.24 -37.11 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.882 0.873 . . . . 75.01 110.275 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 82' ' ' LEU . 32.9 ttpt -61.29 -43.8 98.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.33 1.052 . . . . 72.4 110.679 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 124.682 1.193 . . . . 63.44 110.407 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 108.92 -0.77 . . . . 64.42 108.92 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.5 p -131.61 121.76 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.452 -1.314 . . . . 65.03 107.452 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -137.65 140.36 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.14 0.576 . . . . 74.24 109.455 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 10.0 m -140.15 132.69 28.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.775 0.43 . . . . 60.23 110.388 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 m -113.59 120.64 41.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.088 0.955 . . . . 42.24 108.95 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.408 HD13 HD21 ' A' ' 37' ' ' LEU . 48.2 mt -115.93 134.25 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.761 0.825 . . . . 72.04 109.78 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 44.4 m -64.49 135.8 56.42 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.92 0.488 . . . . 63.34 111.266 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.15 136.22 34.89 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.766 1.226 . . . . 72.44 109.171 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -94.95 -60.5 1.67 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.295 0.638 . . . . 51.22 109.544 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.2 p -102.1 170.12 8.31 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.56 -0.533 . . . . 73.24 109.56 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -28.39 61.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.242 0.46 . . . . 64.22 112.242 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -70.24 -31.93 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 117.658 0.208 . . . . 64.42 110.793 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.1 mt-10 -68.0 -36.94 80.83 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.086 -0.506 . . . . 74.54 110.239 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.02 93.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.855 -0.611 . . . . 61.34 111.179 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.44 -37.05 63.38 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.949 0.499 . . . . 63.55 112.275 -176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.3 pttt -72.51 -39.1 67.87 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.781 0.264 . . . . 72.03 111.071 -178.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 37' ' ' LEU . 72.6 m-85 -76.74 -24.66 53.0 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.083 0.239 . . . . 61.04 111.485 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -58.99 -45.96 89.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.43 -0.581 . . . . 71.42 109.43 168.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.12 93.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.96 -1.018 . . . . 73.24 111.146 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.99 -28.1 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.794 0.837 . . . . 73.34 110.909 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.17 -48.9 12.43 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.326 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.413 HD11 HG21 ' A' ' 89' ' ' VAL . 46.6 mt -58.81 -35.61 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 C-N-CA 123.386 0.674 . . . . 73.44 111.311 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -25.11 67.01 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.61 0.764 . . . . 74.24 111.534 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 41' ' ' LEU . 14.1 t -84.63 -48.24 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.135 0.974 . . . . 72.13 110.846 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -65.44 -40.96 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.808 0.843 . . . . 62.33 112.156 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.93 73.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.864 0.727 . . . . 71.24 111.882 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.12 -47.07 81.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.372 0.669 . . . . 74.52 110.24 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 49' ' ' LYS . 70.9 mt -68.92 -27.36 65.69 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.003 -0.999 . . . . 71.35 111.374 -176.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.986 0 N-CA-C 111.01 -0.836 . . . . 72.44 111.01 179.251 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 109.014 -0.735 . . . . 72.22 109.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -87.26 130.07 34.73 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.969 0.507 . . . . 75.11 109.86 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 76' ' ' ILE . 61.1 t -117.87 120.01 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.534 1.134 . . . . 75.24 108.66 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m -119.05 108.6 14.92 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.908 0.883 . . . . 70.42 109.513 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -73.01 115.08 11.89 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.484 -0.932 . . . . 64.2 108.484 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -131.7 73.78 1.55 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.448 0.699 . . . . 73.1 110.386 -170.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.78 -105.22 1.1 Allowed Glycine 0 C--N 1.346 1.133 0 CA-C-N 114.855 -1.066 . . . . 75.25 113.65 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.99 6.6 47.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.782 0.833 . . . . 71.21 111.322 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 p -141.47 132.75 26.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.943 0.897 . . . . 74.23 111.206 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.2 p -94.21 112.87 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 N-CA-C 108.832 -0.803 . . . . 44.23 108.832 168.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.1 m -101.53 104.12 15.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.387 1.075 . . . . 55.22 110.38 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.15 128.85 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.738 0.815 . . . . 62.41 109.027 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.243 0.743 0 C-N-CA 123.867 0.867 . . . . 74.02 110.145 -175.782 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.242 0.703 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 52.8 mt -83.14 102.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.031 -0.729 . . . . 75.42 109.031 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -85.67 120.98 27.7 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 109.014 -0.735 . . . . 75.34 109.014 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.0 t -111.03 123.65 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.475 -1.305 . . . . 71.14 107.475 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -134.54 114.49 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.415 -0.957 . . . . 63.35 108.415 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 23.8 t-20 -104.23 146.23 29.09 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.39 -0.596 . . . . 73.04 109.39 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -122.34 108.58 13.4 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 107.961 -1.126 . . . . 70.22 107.961 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 43.4 t30 . . . . . 0 C--O 1.24 0.578 0 N-CA-C 108.315 -0.995 . . . . 73.25 108.315 178.017 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 87.2 m-85 . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.703 -0.11 . . . . 73.11 110.703 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 71.9 m -105.42 117.57 34.35 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.291 0.636 . . . . 74.32 110.6 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -128.51 157.78 40.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.49 0.716 . . . . 64.23 109.186 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.03 129.35 41.89 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.687 -0.857 . . . . 73.02 108.687 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.85 132.25 61.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.873 0.869 . . . . 74.34 108.885 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.047 0.539 . . . . 62.35 111.672 -176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.455 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 30.2 m -141.18 151.11 43.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.605 0.762 . . . . 73.25 110.878 -178.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -66.17 -39.3 89.65 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.427 1.491 . . . . 75.34 113.981 -171.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 t -70.55 -31.8 68.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.268 0.227 . . . . 25.42 111.257 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 6.4 mm-40 -64.69 -30.16 71.17 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.554 0.692 . . . . 72.1 110.177 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 12' ' ' ILE . 25.0 tp -66.4 -33.69 76.28 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.197 -1.365 . . . . 75.1 112.063 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -61.34 -38.51 87.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.309 0.643 . . . . 75.22 111.119 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -68.89 -53.5 20.82 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.599 0.759 . . . . 74.33 110.641 -179.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.12 -28.42 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.718 -0.674 . . . . 75.34 112.089 -167.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HG ' HG22 ' A' ' 74' ' ' ILE . 3.6 mm? -71.76 -39.91 69.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.711 0.404 . . . . 73.54 111.593 174.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.39 -30.68 68.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.231 0.612 . . . . 73.4 111.294 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.35 -37.28 18.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.84 0.456 . . . . 74.3 110.893 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 27' ' ' TYR . 45.2 tp -62.72 -34.86 78.04 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.22 0.608 . . . . 73.5 110.381 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 34.0 ttpt -45.61 -46.82 14.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.717 1.607 . . . . 75.13 112.427 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.29 -35.58 73.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 61.42 111.521 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.96 -23.57 60.68 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.311 0.644 . . . . 72.24 111.803 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -81.89 -48.08 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.225 1.01 . . . . 74.44 109.747 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -68.42 -22.18 64.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.905 0.882 . . . . 73.53 111.814 -171.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 CA--C 1.55 0.967 0 C-N-CA 123.828 0.851 . . . . 74.14 110.831 175.089 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.239 0.522 0 CA-C-O 121.64 0.733 . . . . 74.32 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -136.12 127.11 27.76 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 106.424 -1.695 . . . . 45.32 106.424 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -124.59 108.17 11.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.03 0.832 . . . . 75.42 109.073 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -97.86 140.47 32.18 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.765 0.426 . . . . 73.45 110.272 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -121.41 118.27 29.01 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.246 -1.39 . . . . 43.42 107.246 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.4 mt -120.15 126.66 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.986 0.914 . . . . 73.41 108.831 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.8 m -61.07 128.31 35.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.503 0.721 . . . . 74.32 110.992 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.33 114.64 16.46 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.239 1.016 . . . . 60.21 108.359 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 9.4 mmt180 -76.59 -22.19 54.58 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.038 0.446 . . . . 64.15 111.74 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 72.1 p -135.38 170.4 16.0 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.543 1.137 . . . . 62.25 108.704 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.56 -25.31 65.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.505 -0.316 . . . . 72.31 110.48 170.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -66.4 -34.2 77.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.332 0.653 . . . . 73.14 111.043 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.659 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 33.5 mm-40 -66.85 -43.58 83.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.541 -0.54 . . . . 71.54 109.541 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -63.74 -30.21 71.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.18 0.992 . . . . 71.12 112.375 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.14 -58.64 4.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.535 0.734 . . . . 74.25 111.933 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 41.8 pttt -68.11 -28.88 67.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.676 -0.693 . . . . 65.44 111.714 -174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.3 m-30 -88.58 -17.83 29.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.428 0.691 . . . . 73.41 112.161 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB2' ' HE1' ' A' ' 91' ' ' TRP . . . -59.98 -49.73 76.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.361 -0.977 . . . . 73.42 108.361 166.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.57 68.31 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.894 0.746 . . . . 62.21 112.404 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.472 HG22 ' HG ' ' A' ' 41' ' ' LEU . 57.7 mt -58.99 -45.33 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.85 0.86 . . . . 73.12 110.305 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.51 -37.67 68.31 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.082 -0.963 . . . . 71.1 112.462 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -59.38 -38.01 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 123.399 0.68 . . . . 50.43 110.084 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.82 -55.6 28.29 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.259 0.624 . . . . 55.23 111.136 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 69.1 t -53.02 -52.59 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.608 1.163 . . . . 75.51 111.752 -175.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -69.38 -35.31 75.68 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.398 -0.819 . . . . 72.02 111.936 -174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.99 73.45 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.777 0.431 . . . . 50.52 111.105 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 49.6 mt-10 -83.54 -16.58 44.94 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.602 0.761 . . . . 64.4 111.485 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 91.4 mt -77.47 -23.25 50.41 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.448 -0.575 . . . . 71.34 109.448 167.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.207 0 CA-C-N 115.351 -0.84 . . . . 34.33 112.321 178.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 76' ' ' ILE . 48.9 mm . . . . . 0 C--O 1.237 0.428 0 N-CA-C 109.955 -0.387 . . . . 75.13 109.955 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.31 107.74 18.98 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.291 -1.374 . . . . 74.53 107.291 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.12 139.99 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.576 0.75 . . . . 61.23 110.05 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.3 m -129.82 119.64 23.7 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.537 1.135 . . . . 75.34 108.635 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.515 ' HE1' ' HB2' ' A' ' 72' ' ' ALA . 8.6 m-90 -97.33 98.52 10.04 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.044 -0.724 . . . . 73.22 109.044 173.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -80.64 -35.01 34.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.503 0.721 . . . . 52.4 109.928 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 -46.27 1.19 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.414 -0.812 . . . . 64.44 111.424 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.8 -24.76 35.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.359 0.664 . . . . 63.2 109.457 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 m -144.21 143.06 30.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.44 0.696 . . . . 64.44 109.744 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.18 138.01 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 108.38 -0.97 . . . . 72.25 108.38 164.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.3 m -131.98 135.48 46.59 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.538 0.735 . . . . 51.45 109.212 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.53 140.9 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.956 -1.127 . . . . 72.2 107.956 172.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 71.43 109.775 -177.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 . . . . . 0 C--O 1.241 0.643 0 CA-C-O 121.234 0.54 . . . . 63.14 111.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 41.6 mt -78.21 105.19 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.934 -1.03 . . . . 72.03 109.639 -176.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -86.77 113.98 23.06 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.872 -0.788 . . . . 74.12 108.872 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.7 t -100.21 123.39 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.471 1.109 . . . . 61.45 108.377 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -128.86 151.81 49.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.369 1.068 . . . . 63.14 108.878 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -136.57 116.88 13.59 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.441 -0.948 . . . . 72.2 108.441 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.51 110.45 22.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.094 -1.076 . . . . 75.43 108.094 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m120 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 107.131 -1.433 . . . . 74.31 107.131 177.529 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 108.192 -1.04 . . . . 71.3 108.192 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -135.55 128.0 30.48 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.01 0.368 . . . . 72.32 110.651 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.65 133.41 43.55 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.118 1.367 . . . . 71.23 108.045 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -114.66 109.3 18.01 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.247 -0.649 . . . . 71.14 109.247 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.5 m -114.84 155.6 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.713 0.805 . . . . 63.11 109.746 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 t -111.29 -4.09 15.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.735 0.414 . . . . 70.13 110.665 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.513 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 3.4 m -133.26 143.8 49.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.622 0.769 . . . . 64.4 109.694 -177.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 37.9 mt-10 -68.11 -33.26 74.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 72.43 110.98 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 m -58.21 -46.95 84.94 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.165 -0.925 . . . . 72.22 110.986 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 42.6 mt-10 -60.44 -46.05 91.43 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.781 0.833 . . . . 71.51 110.002 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.6 tt -55.62 -35.73 66.2 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.285 -1.325 . . . . 74.12 112.319 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.24 -46.79 82.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.248 0.619 . . . . 74.5 111.423 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -31.2 62.56 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.927 0.491 . . . . 71.13 111.081 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.41 -40.71 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.828 0.851 . . . . 73.42 111.01 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.639 HD12 HG21 ' A' ' 78' ' ' VAL . 4.2 mm? -71.45 -29.24 64.63 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.042 0.537 . . . . 72.23 112.301 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -75.04 -43.97 50.43 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.188 0.595 . . . . 73.34 111.237 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.57 -39.58 77.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.498 0.319 . . . . 74.32 110.493 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.35 -43.82 96.61 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.215 1.006 . . . . 74.03 110.122 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -47.52 -45.67 26.82 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.495 1.518 . . . . 71.2 112.039 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.9 -1.045 . . . . 72.15 111.025 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.6 -36.13 68.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.592 0.757 . . . . 74.3 112.206 -173.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.5 -44.93 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.907 0.883 . . . . 64.53 109.591 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HB2' HD22 ' A' ' 82' ' ' LEU . 33.2 ttpt -69.24 -44.78 71.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.268 1.427 . . . . 74.44 111.968 -178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 124.758 1.223 . . . . 75.34 111.484 -169.553 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 N-CA-C 109.209 -0.663 . . . . 73.15 109.209 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -137.21 129.1 29.03 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.451 -0.944 . . . . 74.21 108.451 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -117.61 127.19 53.71 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.369 -0.604 . . . . 61.53 109.369 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.552 ' HB ' HD22 ' A' ' 75' ' ' LEU . 13.0 m -97.1 144.04 27.34 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.944 -1.132 . . . . 75.31 107.944 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 13.0 t -137.86 120.94 16.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.51 0.724 . . . . 52.11 109.463 -170.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 37' ' ' LEU . 55.9 mt -121.2 134.63 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.015 0.926 . . . . 65.31 109.639 -173.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 62.1 m -68.21 138.7 55.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.445 0.698 . . . . 64.44 110.968 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.44 129.08 19.21 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.018 0.927 . . . . 74.13 109.026 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -93.56 -43.44 8.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.739 0.416 . . . . 71.43 110.102 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -105.03 166.37 10.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.589 0.756 . . . . 75.22 109.761 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -35.62 79.65 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 123.968 0.792 . . . . 74.22 110.796 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.57 -36.74 83.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.369 0.668 . . . . 74.23 110.761 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 50.7 mt-10 -68.69 -39.5 80.52 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 115.589 -0.732 . . . . 73.54 110.376 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.4 89.8 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.719 0.407 . . . . 44.2 111.215 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.14 -36.61 58.7 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 54.34 111.673 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 61.8 pttt -82.07 -41.49 20.52 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 119.198 -0.429 . . . . 74.42 111.997 -174.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' HA ' HD12 ' A' ' 74' ' ' ILE . 81.2 m-85 -70.43 -26.06 63.49 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.232 0.469 . . . . 71.3 110.865 177.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.5 -50.13 74.05 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.787 0.679 . . . . 72.14 109.651 168.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -64.21 -36.75 85.08 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.511 0.725 . . . . 73.21 111.879 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 71' ' ' PHE . 93.5 mt -59.51 -41.06 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 124.645 1.178 . . . . 63.25 110.466 175.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 58' ' ' THR . 95.8 mt -67.9 -42.94 80.36 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.773 0.829 . . . . 73.1 112.371 173.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.454 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.6 mp -58.08 -36.38 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 123.03 0.532 . . . . 65.34 110.737 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.9 mtpt -62.58 -42.84 99.8 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.714 0.805 . . . . 73.12 111.748 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.639 HG21 HD12 ' A' ' 41' ' ' LEU . 31.2 t -61.66 -49.75 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.078 0.951 . . . . 75.41 111.198 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.426 ' HB3' HD12 ' A' ' 87' ' ' ILE . 89.9 m-85 -72.67 -22.4 60.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.775 0.43 . . . . 74.32 111.997 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.01 73.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.376 0.67 . . . . 63.35 110.714 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.97 -40.64 68.47 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.472 -0.785 . . . . 64.11 110.333 172.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 49' ' ' LYS . 85.1 mt -68.02 -24.37 65.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 74.22 112.213 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.858 0 O-C-N 123.395 0.434 . . . . 53.35 112.215 175.86 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 79' ' ' TYR . 20.8 mm . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 108.734 -0.839 . . . . 74.12 108.734 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 98' ' ' VAL . 39.4 t30 -93.37 141.46 28.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.873 0.869 . . . . 74.44 109.844 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.454 ' HB ' HD11 ' A' ' 76' ' ' ILE . 2.7 p -121.58 130.59 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.896 0.878 . . . . 72.42 108.872 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.7 m -129.46 104.75 7.66 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.203 -0.666 . . . . 62.23 109.203 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -78.2 109.59 12.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.852 -0.796 . . . . 71.41 108.852 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.17 -6.55 59.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.205 0.602 . . . . 64.04 110.72 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.13 -104.39 0.77 Allowed Glycine 0 C--N 1.349 1.292 0 N-CA-C 111.255 -0.738 . . . . 45.21 111.255 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.56 0.72 25.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.951 0.9 . . . . 72.14 112.144 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.9 m -141.99 130.18 22.16 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.014 -1.106 . . . . 74.14 108.014 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 59' ' ' SER . 17.6 m -92.78 144.33 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.596 0.758 . . . . 65.34 108.983 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.8 m -136.32 106.63 6.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.258 0.623 . . . . 73.41 109.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 88' ' ' ASN . 44.5 t -104.35 138.96 26.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 123.624 0.77 . . . . 60.24 110.628 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.265 1.426 . . . . 71.31 108.715 -174.495 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.028 0.442 . . . . 73.24 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 37' ' ' LEU . 54.5 mt -76.19 103.54 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.37 -0.832 . . . . 74.52 109.864 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.3 118.81 37.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.897 0.479 . . . . 74.31 110.273 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -92.97 127.35 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.346 1.059 . . . . 74.33 108.96 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG2' HG23 ' A' ' 28' ' ' THR . 46.5 mt-30 -133.51 109.8 9.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.479 0.712 . . . . 64.4 109.798 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.645 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 t-20 -104.48 122.43 45.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 110.002 -0.37 . . . . 73.51 110.002 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.31 123.61 47.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.598 -0.89 . . . . 63.51 108.598 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 p30 . . . . . 0 CA--C 1.549 0.906 0 N-CA-C 108.95 -0.759 . . . . 74.01 108.95 178.28 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.645 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 40.5 m-85 . . . . . 0 CA--C 1.557 1.231 0 N-CA-C 112.204 0.446 . . . . 71.43 112.204 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.605 HG23 ' HG2' ' A' ' 15' ' ' GLN . 60.9 m -94.49 119.63 33.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.711 0.805 . . . . 65.05 110.955 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -131.85 158.7 40.64 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.351 1.06 . . . . 75.54 109.34 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -130.41 111.57 12.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.367 0.667 . . . . 74.1 109.772 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.36 143.64 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.816 0.846 . . . . 73.14 110.05 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -98.05 -4.69 35.45 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 122.015 -0.428 . . . . 34.23 111.12 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 35' ' ' SER . 19.3 m -123.1 137.97 54.78 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.249 0.62 . . . . 71.4 110.269 -176.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.29 -30.74 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.341 1.056 . . . . 71.54 111.181 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 33' ' ' THR . 22.4 m -58.58 -54.69 44.21 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.523 0.729 . . . . 73.2 110.322 174.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -67.03 -21.82 65.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.346 -0.843 . . . . 63.42 112.344 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 74' ' ' ILE . 1.7 tt -63.6 -51.0 67.17 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.653 0.781 . . . . 73.01 108.899 170.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -63.7 -34.01 76.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.874 0.87 . . . . 74.24 111.896 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -63.14 -60.01 4.0 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.719 -0.474 . . . . 72.11 109.719 172.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.09 -23.07 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 71.44 112.293 -166.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD12 HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.21 -41.66 63.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.432 0.693 . . . . 72.52 110.665 175.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.7 -27.25 61.96 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.198 -0.91 . . . . 63.42 110.048 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -75.66 -40.62 55.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.044 0.538 . . . . 73.23 110.137 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 27' ' ' TYR . 20.5 tp -70.27 -23.49 62.89 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.966 -0.561 . . . . 43.54 110.655 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' HG3' HD21 ' A' ' 82' ' ' LEU . 37.9 ttpt -54.42 -39.42 67.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.21 1.004 . . . . 64.43 111.383 174.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.09 -44.11 87.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.86 0.864 . . . . 73.21 111.062 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -66.63 -54.87 18.66 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.349 0.66 . . . . 74.35 110.765 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -58.75 -40.44 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 124.065 0.946 . . . . 55.12 111.537 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -69.15 -47.47 64.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.62 1.168 . . . . 63.34 111.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt . . . . . 0 CA--C 1.541 0.603 0 CA-C-N 114.658 -1.156 . . . . 74.42 111.483 -172.779 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.771 -0.455 . . . . 74.15 109.771 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 t -139.55 127.75 22.54 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.001 -0.74 . . . . 51.55 109.001 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -140.12 123.14 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.428 -0.582 . . . . 72.3 109.428 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -101.46 151.35 22.05 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.384 0.674 . . . . 74.24 110.422 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -142.22 119.43 11.46 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 108.384 -0.969 . . . . 62.15 108.384 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.47 HD13 HD21 ' A' ' 37' ' ' LEU . 34.3 mt -118.2 127.4 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 124.293 1.037 . . . . 72.24 110.366 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 85.0 m -60.33 124.15 19.43 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.543 0.737 . . . . 71.52 110.79 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 67' ' ' GLU . . . -131.06 102.68 6.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.391 1.077 . . . . 22.42 109.43 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -58.47 -34.56 71.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.199 0.6 . . . . 61.22 112.242 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -128.35 166.9 17.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.192 0.997 . . . . 73.13 109.797 174.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.076 -0.511 . . . . 72.25 110.153 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -50.97 -47.28 61.34 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.139 1.376 . . . . 44.43 110.325 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 36.4 mm-40 -67.09 -47.62 70.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.558 -0.746 . . . . 71.44 110.404 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.32 71.14 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.372 1.045 . . . . 62.03 112.853 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 42.1 mt-10 -76.46 -44.6 34.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.617 0.767 . . . . 73.13 111.862 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -78.63 -23.61 45.73 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.395 0.517 . . . . 73.45 112.395 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -90.52 -19.43 23.81 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.926 0.49 . . . . 74.15 111.773 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -60.61 -43.89 96.92 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 108.773 -0.825 . . . . 64.13 108.773 164.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.41 72.92 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.077 -0.965 . . . . 73.34 112.001 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.5 HG21 HD22 ' A' ' 37' ' ' LEU . 58.6 mt -62.5 -42.13 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.337 0.655 . . . . 64.24 110.759 173.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.412 HD21 HD11 ' A' ' 60' ' ' ILE . 98.3 mt -74.6 -35.7 62.97 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.737 -0.665 . . . . 63.52 112.188 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.594 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -66.9 -36.97 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.158 0.583 . . . . 64.55 109.731 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.85 -48.12 82.0 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.846 0.858 . . . . 71.25 111.373 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 HD12 ' A' ' 41' ' ' LEU . 58.4 t -71.17 -42.09 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.782 -1.099 . . . . 73.21 111.626 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -75.95 -18.52 59.3 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.248 0.619 . . . . 73.22 112.261 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.13 -29.63 63.03 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.994 0.518 . . . . 75.22 110.638 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.34 -32.78 64.75 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.413 -0.812 . . . . 71.52 110.241 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 45' ' ' LYS . 60.5 mt -77.39 -26.23 51.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.639 -0.71 . . . . 74.11 111.282 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.626 0 N-CA-C 110.186 -1.166 . . . . 64.33 110.186 176.39 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.594 ' HB ' HG13 ' A' ' 76' ' ' ILE . 14.2 mm . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 109.646 -0.502 . . . . 73.3 109.646 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -88.3 121.34 30.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.433 0.693 . . . . 74.22 109.773 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 76' ' ' ILE . 15.8 t -107.96 131.42 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.058 0.543 . . . . 64.42 110.196 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -119.34 107.79 13.8 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.35 -0.981 . . . . 74.21 108.35 169.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.49 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 19.6 m-90 -81.21 100.08 8.92 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.561 -0.904 . . . . 72.35 108.561 173.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 95' ' ' THR . 22.0 t70 -73.95 -44.93 53.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.238 0.615 . . . . 74.53 110.565 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.11 -82.0 0.21 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.649 -0.581 . . . . 61.2 111.649 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.63 -10.41 59.51 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.217 0.607 . . . . 70.41 110.932 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 69.3 m -145.29 143.99 30.51 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.019 1.328 . . . . 73.22 108.38 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.1 p -97.43 139.49 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 108.382 -0.97 . . . . 72.51 108.382 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -129.53 104.1 7.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.838 -0.801 . . . . 74.21 108.838 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.45 135.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.294 0.638 . . . . 74.14 109.899 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.245 0.823 0 C-N-CA 124.45 1.1 . . . . 71.21 108.318 -174.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.154 0.502 . . . . 64.24 112.254 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -79.63 104.18 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.279 -0.873 . . . . 60.2 110.458 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -94.85 132.63 39.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.815 -0.809 . . . . 50.42 108.815 169.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.2 t -118.57 130.05 73.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 C-N-CA 124.818 1.247 . . . . 72.51 107.954 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.75 144.83 50.04 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.388 -0.967 . . . . 60.03 108.388 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.5 t-20 -140.28 128.61 22.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.686 0.394 . . . . 61.3 110.087 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 56' ' ' SER . 15.3 m120 -107.61 112.93 25.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.741 1.216 . . . . 72.23 108.997 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.3 m120 . . . . . 0 N--CA 1.481 1.119 0 C-N-CA 122.594 0.358 . . . . 31.44 110.856 -175.183 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.7 m-85 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 112.351 0.5 . . . . 71.12 112.351 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 17.3 m -85.84 126.0 33.71 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.441 -0.577 . . . . 62.11 109.441 172.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -123.37 155.75 36.74 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.686 0.794 . . . . 70.04 109.84 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.59 105.56 7.62 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.333 -0.988 . . . . 64.33 108.333 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.95 144.98 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 108.657 -0.868 . . . . 63.5 108.657 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -98.08 -31.51 12.09 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.062 0.458 . . . . 50.31 110.069 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.581 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 22.6 m -99.47 139.99 34.32 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 61.44 109.444 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 36.7 mt-10 -66.98 -28.16 68.03 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.71 0.804 . . . . 34.11 111.328 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.485 ' H ' HG22 ' A' ' 33' ' ' THR . 33.6 t -64.23 -45.67 87.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.872 0.869 . . . . 55.33 110.685 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 51.7 mt-10 -57.85 -27.95 63.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.708 0.803 . . . . 73.34 111.139 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 40' ' ' VAL . 27.4 tp -70.87 -36.93 73.03 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.686 -0.688 . . . . 74.1 111.387 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.16 -32.94 73.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 63.22 110.127 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -73.46 -47.62 39.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.187 0.995 . . . . 62.31 111.091 177.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.7 p -65.87 -42.01 91.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 119.127 -0.463 . . . . 65.24 110.657 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 78' ' ' VAL . 3.1 mm? -64.8 -29.25 70.21 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.453 0.301 . . . . 75.12 111.806 177.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.55 -50.99 67.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.271 0.628 . . . . 70.2 110.581 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.46 -29.82 27.73 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.279 0.474 . . . . 52.41 112.279 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -69.66 -32.9 71.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.219 0.607 . . . . 73.35 109.819 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HG3' HG13 ' A' ' 78' ' ' VAL . 36.1 ttpt -49.94 -37.1 30.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.037 1.335 . . . . 73.44 112.082 175.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.16 -43.37 91.99 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.813 0.845 . . . . 72.0 111.088 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -72.88 -34.23 66.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.43 0.692 . . . . 71.44 110.486 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.625 HG23 ' HB2' ' A' ' 56' ' ' SER . 79.6 mt -68.94 -30.33 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 125.427 1.491 . . . . 75.35 110.432 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -85.22 -31.5 23.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.963 0.905 . . . . 61.51 110.303 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 N--CA 1.474 0.736 0 C-N-CA 124.311 1.044 . . . . 70.31 109.868 177.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 121.561 0.696 . . . . 74.52 111.577 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.625 ' HB2' HG23 ' A' ' 48' ' ' ILE . 50.0 m -133.4 119.66 19.93 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.24 -1.393 . . . . 71.42 107.24 166.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -98.91 122.91 42.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.568 0.747 . . . . 64.13 110.844 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 m -102.25 143.29 32.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.223 0.609 . . . . 73.2 109.573 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -141.42 119.97 12.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.672 -1.233 . . . . 72.52 107.672 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.5 mt -124.91 139.28 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.048 0.939 . . . . 74.34 110.452 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -56.56 130.52 45.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.218 1.007 . . . . 70.53 111.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.07 133.45 35.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.031 0.932 . . . . 63.41 108.847 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -94.17 -40.48 10.01 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.865 -0.522 . . . . 71.23 110.975 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.445 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 67.9 p -122.61 171.46 9.12 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.893 0.877 . . . . 75.42 108.968 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -64.36 -30.09 71.15 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.453 0.301 . . . . 63.45 110.571 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -67.31 -31.31 71.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.49 0.716 . . . . 74.34 110.308 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 6.9 mm-40 -73.81 -40.07 63.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.685 0.755 . . . . 73.11 110.065 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.52 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -66.63 -38.07 86.14 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.581 -1.19 . . . . 54.45 111.964 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.04 -32.46 30.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.654 0.382 . . . . 74.13 111.642 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 64.6 pttt -69.26 -36.17 76.84 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.767 0.318 . . . . 70.45 110.207 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 17.1 m-30 -88.29 -17.23 31.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.214 0.605 . . . . 65.2 112.624 177.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HE1' ' A' ' 91' ' ' TRP . . . -58.42 -43.12 88.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.204 -0.665 . . . . 74.23 109.204 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.7 80.26 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.081 0.863 . . . . 73.0 111.936 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.83 -36.79 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.148 0.979 . . . . 72.32 111.051 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.11 -45.02 15.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.865 0.466 . . . . 73.34 111.334 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.17 -32.8 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.819 0.848 . . . . 54.51 111.074 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.32 86.46 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.586 0.754 . . . . 65.11 111.289 174.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 41' ' ' LEU . 37.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.851 0.861 . . . . 62.2 110.823 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.63 -29.07 69.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.813 0.845 . . . . 74.43 111.549 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.123 0.569 . . . . 62.04 110.879 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.99 -26.88 62.42 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.576 -0.738 . . . . 71.45 111.253 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 51.1 mt -73.95 -30.11 62.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.944 -0.391 . . . . 73.33 109.944 174.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.325 0 C-N-CA 124.624 1.107 . . . . 54.21 115.596 170.224 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.1 mm . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.639 -0.504 . . . . 34.23 109.639 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -98.68 112.15 24.3 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.795 -0.817 . . . . 52.35 108.795 172.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.2 p -108.35 138.94 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.715 -0.846 . . . . 72.15 108.715 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.6 m -144.46 125.2 14.17 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.808 0.843 . . . . 63.34 108.859 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.52 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 12.4 m-90 -99.95 106.84 18.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.451 0.7 . . . . 72.23 109.24 177.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.2 -24.05 65.81 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.667 0.787 . . . . 74.33 110.397 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.46 -61.62 0.31 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.985 -1.246 . . . . 64.53 109.985 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.89 -11.75 54.93 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.836 -0.682 . . . . 74.54 110.591 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 m -146.11 145.59 30.58 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.569 0.748 . . . . 65.13 109.542 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.71 133.28 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 108.747 -0.835 . . . . 74.31 108.747 166.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 m -135.02 121.07 19.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.115 0.566 . . . . 75.11 110.074 -174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.6 143.91 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.755 0.822 . . . . 74.12 109.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.551 0.981 0 C-N-CA 124.617 1.167 . . . . 63.42 108.501 -174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 121.234 0.54 . . . . 74.34 112.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.463 ' HB ' HG23 ' A' ' 31' ' ' VAL . 30.1 mt -78.2 103.45 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 114.301 -1.318 . . . . 73.33 109.374 -171.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -91.84 122.73 34.64 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 108.191 -1.04 . . . . 64.02 108.191 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG21 HD12 ' A' ' 37' ' ' LEU . 43.5 t -116.84 104.73 17.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 108.64 -0.874 . . . . 71.21 108.64 -175.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.0 108.2 18.84 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.981 -0.748 . . . . 75.13 108.981 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -102.82 109.98 21.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.324 -1.362 . . . . 60.15 107.324 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -103.74 118.28 36.34 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.523 -0.917 . . . . 74.31 108.523 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 m120 . . . . . 0 C--O 1.239 0.534 0 C-N-CA 123.603 0.761 . . . . 73.44 109.531 -168.603 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 109.881 -0.415 . . . . 63.31 109.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 36.9 m -93.65 124.48 37.68 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.256 175.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.51 164.0 16.44 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 124.711 1.205 . . . . 75.24 108.612 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.2 m -127.94 104.79 8.0 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 37' ' ' LEU . 29.0 m -109.35 157.19 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 108.696 -0.853 . . . . 70.34 108.696 173.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.0 t -114.99 -9.41 12.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.303 0.641 . . . . 64.43 109.932 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.2 m -141.71 150.28 41.63 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 124.106 0.963 . . . . 62.12 109.924 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.7 -33.51 72.63 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.719 1.208 . . . . 71.05 111.805 -175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 p -58.96 -49.41 77.96 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.516 0.51 . . . . 63.11 110.028 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.36 -40.37 96.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.054 -0.975 . . . . 74.33 110.507 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.504 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.44 -47.51 81.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.576 1.15 . . . . 74.5 112.047 177.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.25 -31.38 70.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.063 0.545 . . . . 75.4 111.266 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -70.42 -37.4 74.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.691 -0.485 . . . . 74.33 109.691 173.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.2 t -61.34 -39.19 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 O-C-N 123.724 0.64 . . . . 62.43 109.874 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.9 mm? -68.36 -32.99 73.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.221 0.608 . . . . 71.22 111.947 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.36 -47.97 74.58 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.551 0.74 . . . . 75.0 110.788 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.05 -39.65 65.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.914 -0.585 . . . . 71.22 110.73 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.69 -38.8 91.82 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.51 1.124 . . . . 43.1 110.808 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.7 ttpt -49.08 -44.26 41.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.15 1.38 . . . . 71.22 111.429 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.98 -45.21 82.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.636 -1.165 . . . . 62.35 110.718 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -63.07 -54.93 30.34 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.362 0.665 . . . . 72.24 111.825 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -44.79 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.402 1.081 . . . . 73.24 111.128 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HB2' HD22 ' A' ' 82' ' ' LEU . 80.9 tttt -68.56 -40.5 80.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.268 -0.878 . . . . 73.14 110.918 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt . . . . . 0 N--CA 1.473 0.699 0 C-N-CA 123.86 0.864 . . . . 70.14 111.08 -176.56 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.76 0.314 . . . . 61.11 110.513 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.6 p -124.66 157.5 35.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.923 0.889 . . . . 54.44 109.509 173.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -127.77 109.95 12.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.785 0.834 . . . . 70.01 109.265 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.5 m -93.65 134.68 35.7 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.326 -0.62 . . . . 75.13 109.326 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 m -126.52 119.54 27.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.105 -1.072 . . . . 74.2 108.105 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.524 HG21 ' CD2' ' A' ' 71' ' ' PHE . 63.0 mt -121.2 134.16 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.786 0.834 . . . . 64.15 109.816 -173.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -59.7 122.1 13.3 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.0 0.812 . . . . 75.4 110.889 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.09 99.95 5.25 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.502 1.121 . . . . 74.0 108.414 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -86.18 -41.67 14.49 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.117 0.967 . . . . 72.51 109.401 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.6 p -104.31 155.23 18.93 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 114.9 -1.046 . . . . 73.3 109.646 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.25 -27.26 68.93 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.891 -0.595 . . . . 73.03 110.65 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 59.0 mmtt -64.21 -38.28 90.47 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 123.531 0.519 . . . . 60.02 111.608 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.98 -47.43 77.6 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.529 0.518 . . . . 71.34 109.744 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.56 -37.5 70.63 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 115.75 -0.659 . . . . 60.35 111.936 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -73.3 -59.55 2.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.098 0.959 . . . . 71.32 111.165 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 71' ' ' PHE . 57.0 pttt -68.27 -38.81 82.1 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.119 -0.491 . . . . 75.43 112.144 -169.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 60' ' ' ILE . 35.9 m-85 -68.28 -33.03 73.61 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.502 0.321 . . . . 74.2 110.804 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.422 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -58.38 -44.02 88.74 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 123.557 0.536 . . . . 72.54 110.403 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -60.92 -48.08 83.48 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.957 0.786 . . . . 72.43 110.881 176.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.02 -36.85 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.724 1.21 . . . . 72.42 111.174 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 95.9 mt -74.37 -46.42 40.65 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.17 0.588 . . . . 72.53 111.124 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.686 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -57.48 -37.72 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 123.461 0.704 . . . . 73.5 111.237 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 61.6 mtpt -61.36 -48.78 79.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.657 0.783 . . . . 60.31 110.99 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' LEU . 76.7 t -69.56 -42.26 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.014 0.925 . . . . 64.33 111.24 -177.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -69.34 -25.17 64.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.621 0.768 . . . . 73.15 112.082 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.21 77.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.186 0.595 . . . . 60.42 110.384 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.02 -25.54 64.54 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.346 -0.843 . . . . 64.32 111.158 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 49' ' ' LYS . 43.4 mt -96.08 -26.0 15.68 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.831 0.853 . . . . 64.43 111.893 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.707 0 N-CA-C 110.958 -0.857 . . . . 63.54 110.958 -177.492 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.546 -0.539 . . . . 73.22 109.546 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -87.57 110.72 20.57 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.359 -0.608 . . . . 61.05 109.359 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.686 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.1 p -105.91 126.96 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.529 -0.915 . . . . 73.13 108.529 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.5 m -141.14 113.26 7.91 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.012 -0.736 . . . . 73.5 109.012 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -80.43 105.12 11.44 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 109.433 -0.58 . . . . 73.01 109.433 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.96 -27.09 68.9 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.054 0.942 . . . . 74.44 111.484 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.8 -80.24 0.33 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.232 -1.147 . . . . 43.21 110.232 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.1 -9.03 58.28 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.094 0.558 . . . . 63.21 110.836 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -142.43 144.7 33.19 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.425 1.09 . . . . 55.53 108.925 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -98.26 131.78 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 108.436 -0.95 . . . . 61.31 108.436 166.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.8 m -122.97 129.59 51.74 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.671 0.788 . . . . 62.13 109.716 -177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.42 130.58 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.972 . . . . 30.2 108.776 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 CA--C 1.545 0.753 0 C-N-CA 124.082 0.953 . . . . 64.01 109.695 -178.052 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 109.044 -0.724 . . . . 73.12 109.044 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.22 105.26 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 115.766 -0.652 . . . . 75.01 110.281 -172.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -85.37 111.28 19.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.88 0.872 . . . . 73.42 109.202 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -92.14 108.75 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 107.984 -1.117 . . . . 72.15 107.984 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -101.94 111.26 23.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.757 0.823 . . . . 71.22 109.969 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.65 114.43 28.69 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.539 -0.912 . . . . 73.43 108.539 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . 26.4 t-20 -103.02 125.16 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.774 0.83 . . . . 74.01 109.033 174.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 108.198 -1.038 . . . . 71.45 108.198 176.088 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 121.429 0.633 . . . . 64.22 110.123 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -86.58 129.14 34.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.446 -0.797 . . . . 71.3 110.183 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -111.97 149.58 31.77 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.947 0.899 . . . . 74.44 109.0 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.9 m -129.4 105.02 7.83 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.117 -1.068 . . . . 72.45 108.117 173.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.26 132.65 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.566 0.746 . . . . 71.41 109.671 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.9 t -88.89 -17.04 30.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.106 0.562 . . . . 61.2 110.566 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 35' ' ' SER . 24.7 m -129.32 144.36 51.2 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.86 0.864 . . . . 64.02 109.976 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.03 -24.42 67.48 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.394 1.078 . . . . 72.15 112.62 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 33' ' ' THR . 53.0 p -61.71 -52.54 63.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.775 0.43 . . . . 72.23 110.194 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.833 0.853 . . . . 54.24 111.609 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 60' ' ' ILE . 2.4 tt -58.52 -47.01 85.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.993 0.917 . . . . 71.03 109.451 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.45 ' NE2' HD21 ' A' ' 42' ' ' ASN . 22.8 tm0? -57.95 -47.63 82.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.237 -0.892 . . . . 65.2 109.837 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.67 -50.72 71.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.135 0.574 . . . . 73.2 111.272 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.407 HG23 HD22 ' A' ' 41' ' ' LEU . 34.4 m -60.83 -24.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 N-CA-C 112.458 0.54 . . . . 62.23 112.458 -171.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 ' HG ' HG22 ' A' ' 74' ' ' ILE . 4.4 mm? -78.37 -36.43 46.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.031 0.532 . . . . 74.43 111.86 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.45 HD21 ' NE2' ' A' ' 38' ' ' GLN . 50.9 m-80 -64.32 -41.54 96.76 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 110.002 -0.37 . . . . 65.45 110.002 175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -70.96 -44.49 65.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.763 0.664 . . . . 65.53 109.641 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.01 -40.25 76.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.103 0.961 . . . . 70.51 111.822 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 36.3 ttpt -54.82 -37.39 66.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.052 0.845 . . . . 73.54 111.483 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.68 -47.92 81.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.683 0.793 . . . . 42.44 110.481 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -65.07 -41.98 94.6 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.859 0.724 . . . . 73.25 111.39 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.44 -41.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.291 0.636 . . . . 70.2 110.456 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -79.93 -19.98 46.78 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.735 0.414 . . . . 70.2 111.315 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.355 0.598 . . . . 71.11 109.608 173.167 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.03 -0.73 . . . . 74.23 109.03 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -125.06 108.78 12.17 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.066 -1.087 . . . . 74.44 108.066 170.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 37.5 ttm180 -133.9 132.73 40.63 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.556 -1.275 . . . . 74.22 107.556 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.4 m -140.64 145.19 36.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.665 -0.865 . . . . 70.2 108.665 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -145.17 157.1 44.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.932 0.893 . . . . 72.23 109.115 -168.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.418 HD13 HD21 ' A' ' 37' ' ' LEU . 81.1 mt -143.15 131.51 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.91 0.884 . . . . 54.41 109.24 -174.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 m -62.14 136.4 57.93 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 123.578 0.549 . . . . 64.44 110.804 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.17 103.75 4.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.045 0.938 . . . . 63.35 109.203 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -65.9 -28.25 68.8 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.011 0.434 . . . . 73.54 110.613 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -130.89 160.86 33.22 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.013 0.925 . . . . 64.21 109.375 172.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 31.9 ttpt -64.79 -30.06 71.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.608 0.363 . . . . 72.23 110.817 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -34.78 71.74 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 117.95 0.341 . . . . 71.54 110.576 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 42.0 mt-10 -68.86 -43.13 76.05 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.686 -0.688 . . . . 62.02 110.422 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.26 69.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.298 0.639 . . . . 42.32 112.215 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 8.4 mm-40 -78.55 -52.51 8.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.934 0.494 . . . . 73.32 111.101 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 59.3 pttt -67.29 -29.98 69.72 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.027 0.441 . . . . 64.11 111.335 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 19.6 m-30 -89.03 -17.73 28.77 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.396 0.678 . . . . 72.11 112.4 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.98 -43.82 82.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.036 -0.728 . . . . 74.14 109.036 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.89 74.99 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.14 -0.936 . . . . 64.33 112.032 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.601 HG22 ' HG ' ' A' ' 41' ' ' LEU . 63.1 mt -62.25 -38.09 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.918 0.887 . . . . 73.24 110.735 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.68 -39.93 56.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.183 0.593 . . . . 74.24 111.173 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.13 -35.57 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 123.858 0.863 . . . . 73.42 111.063 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -59.02 -33.25 70.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.514 0.726 . . . . 55.23 111.856 177.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG21 HD12 ' A' ' 41' ' ' LEU . 91.9 t -72.98 -57.58 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.442 0.697 . . . . 72.02 110.411 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.83 -21.85 62.4 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.861 0.689 . . . . 61.13 112.861 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.67 74.24 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.926 0.491 . . . . 70.24 110.442 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 7.3 mm-40 -87.1 -18.15 31.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.414 0.685 . . . . 73.03 111.326 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.3 mt -87.59 -12.61 45.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.174 0.59 . . . . 72.24 111.476 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.419 0 C-N-CA 121.933 -0.175 . . . . 54.33 113.478 178.071 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 108.224 -1.028 . . . . 74.34 108.224 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.1 t30 -124.37 104.15 8.61 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.859 -1.163 . . . . 64.45 107.859 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.56 139.12 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 109.524 -0.546 . . . . 73.23 109.524 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.7 m -146.05 129.22 16.62 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.804 1.242 . . . . 74.12 108.011 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.9 m-90 -102.58 112.09 24.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 71.23 109.443 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.66 0.47 55.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.889 0.876 . . . . 72.32 110.856 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.93 -78.63 1.0 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.874 -0.89 . . . . 63.31 110.874 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 -17.07 61.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.867 0.867 . . . . 63.02 111.275 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 m -145.55 146.23 31.32 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.877 0.871 . . . . 73.22 109.764 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.26 140.64 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.975 -0.75 . . . . 62.21 108.975 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.9 m -133.47 125.12 28.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.319 0.648 . . . . 54.25 110.26 -175.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 88' ' ' ASN . 96.8 t -117.38 123.78 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 62.01 109.494 170.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 124.488 1.115 . . . . 75.33 108.607 176.787 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.18 0.514 . . . . 54.11 111.927 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.583 HG21 HD22 ' A' ' 37' ' ' LEU . 55.7 mt -88.86 107.71 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 115.295 -0.866 . . . . 72.11 109.82 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.87 141.51 33.33 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.952 0.501 . . . . 75.34 110.182 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 47.8 t -128.28 127.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.122 0.969 . . . . 73.23 109.33 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -135.06 118.14 16.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.371 0.668 . . . . 62.4 110.509 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.766 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 25.3 t-20 -105.16 113.0 26.33 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.78 -1.193 . . . . 63.03 107.78 168.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.59 123.76 48.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.672 -0.862 . . . . 75.24 108.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 56' ' ' SER . 51.7 t-20 . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 107.439 -1.319 . . . . 70.15 107.439 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.766 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.9 m-85 . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 121.438 0.637 . . . . 74.11 109.937 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 m -93.18 121.05 34.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.781 -1.099 . . . . 72.24 109.629 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 75.6 m-85 -132.62 155.97 47.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.74 0.816 . . . . 61.33 108.934 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.4 m -130.87 106.89 8.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.615 -1.254 . . . . 51.41 107.615 169.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 12' ' ' ILE . 19.6 m -103.26 133.17 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.221 0.609 . . . . 75.35 109.477 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -86.7 -12.25 48.86 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.587 -0.733 . . . . 73.05 111.43 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 35' ' ' SER . 31.3 m -140.73 149.24 41.91 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.321 0.648 . . . . 61.41 110.014 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.98 -28.28 67.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.176 0.99 . . . . 73.22 110.628 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.583 ' H ' HG22 ' A' ' 33' ' ' THR . 11.5 m -64.26 -48.07 77.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.179 0.992 . . . . 53.52 110.131 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.35 -30.13 70.94 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.47 0.708 . . . . 74.35 110.851 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.583 HD22 HG21 ' A' ' 12' ' ' ILE . 37.4 tp -67.74 -38.76 83.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.629 0.772 . . . . 71.42 111.142 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -64.77 -51.72 60.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.218 -0.66 . . . . 63.32 109.218 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -57.86 -46.24 85.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.677 1.191 . . . . 54.12 112.305 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.86 -35.36 69.07 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 CA-C-O 119.136 -0.459 . . . . 45.04 110.532 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.594 HD12 HG21 ' A' ' 78' ' ' VAL . 3.4 mm? -73.97 -29.65 62.1 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.022 0.529 . . . . 54.43 111.731 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.29 -47.74 84.26 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.65 0.593 . . . . 62.31 109.839 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.99 -32.72 39.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.531 0.52 . . . . 72.15 111.598 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 30.0 tp -61.33 -28.85 69.51 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.187 0.595 . . . . 74.31 110.758 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -46.38 -46.34 18.41 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.978 1.311 . . . . 74.24 112.654 173.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 31.2 t70 -65.25 -42.65 93.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.596 1.159 . . . . 70.42 110.956 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB2' HD12 ' A' ' 44' ' ' LEU . 96.1 m-85 -66.25 -44.38 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.078 0.951 . . . . 74.3 111.797 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.75 -40.05 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.717 1.207 . . . . 72.01 109.947 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -67.41 -29.0 68.38 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.969 0.907 . . . . 71.14 111.718 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 65.1 mttm . . . . . 0 N--CA 1.487 1.405 0 C-N-CA 123.322 0.649 . . . . 73.54 110.744 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 . . . . . 0 N--CA 1.476 0.849 0 CA-C-O 120.809 0.338 . . . . 73.34 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.471 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . 32.9 p -131.76 143.23 50.08 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.777 0.831 . . . . 64.11 108.935 172.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -120.82 110.13 15.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.382 1.073 . . . . 73.25 108.608 -175.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -107.43 118.25 36.24 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.731 -0.47 . . . . 72.04 109.731 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -109.71 120.47 42.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.901 0.881 . . . . 65.01 108.944 175.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.423 HD13 HD11 ' A' ' 37' ' ' LEU . 64.3 mt -112.59 127.83 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.835 -0.802 . . . . 74.13 108.835 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -66.73 101.57 0.82 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.138 0.575 . . . . 70.41 109.575 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 67' ' ' GLU . . . -99.73 121.55 41.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.652 -1.24 . . . . 64.03 107.652 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.0 -30.38 69.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.839 -0.619 . . . . 74.41 112.56 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 69.3 p -131.61 170.96 14.03 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.891 . . . . 43.34 108.859 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -28.28 69.45 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.683 171.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.89 -44.67 91.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.369 1.067 . . . . 72.13 110.228 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.7 mm-40 -64.84 -42.33 95.0 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.757 -0.656 . . . . 74.11 110.081 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 91' ' ' TRP . . . -64.48 -24.62 67.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.5 0.926 . . . . 71.54 113.5 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.83 -48.81 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.31 0.644 . . . . 61.21 111.853 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 52.6 pttt -77.52 -25.42 50.22 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.997 -0.547 . . . . 71.03 111.036 -175.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 13.4 m-30 -86.0 -19.44 30.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.736 0.415 . . . . 74.21 110.993 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.504 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.07 -46.03 90.91 Favored 'General case' 0 C--O 1.205 -1.289 0 N-CA-C 108.158 -1.052 . . . . 61.1 108.158 164.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.65 82.71 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.066 0.547 . . . . 43.52 112.355 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.42 HG22 ' HG ' ' A' ' 41' ' ' LEU . 48.2 mt -58.32 -49.25 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 123.923 0.889 . . . . 73.22 110.981 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.91 -40.76 68.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.541 0.736 . . . . 73.12 112.386 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 89' ' ' VAL . 1.3 mp -63.53 -34.66 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.593 0.757 . . . . 70.3 110.371 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -47.29 86.34 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.379 0.672 . . . . 61.42 110.368 175.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.594 HG21 HD12 ' A' ' 41' ' ' LEU . 49.8 t -56.62 -61.06 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.311 1.007 . . . . 62.44 111.246 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -67.63 -30.23 69.75 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.2 0.6 . . . . 71.22 112.421 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.95 85.76 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.762 0.425 . . . . 75.42 110.715 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -37.01 82.74 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.175 -0.92 . . . . 74.24 110.721 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.7 mt -69.65 -25.29 63.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.278 0.631 . . . . 71.22 112.054 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.129 0 CA-C-O 120.054 -0.303 . . . . 62.12 112.658 179.104 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.565 ' HB ' HG13 ' A' ' 76' ' ' ILE . 23.1 mm . . . . . 0 CA--C 1.551 0.989 0 N-CA-C 110.838 -0.06 . . . . 75.43 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -88.62 118.03 28.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.281 0.632 . . . . 73.32 109.946 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 76' ' ' ILE . 3.9 t -115.81 133.84 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.206 1.002 . . . . 61.43 109.408 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.9 m -141.87 124.67 16.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.597 -0.89 . . . . 73.44 108.597 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.402 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 19.3 m-90 -98.7 148.05 24.25 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.587 -0.523 . . . . 73.5 109.587 174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.59 113.46 4.15 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.58 -0.896 . . . . 72.02 108.58 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.02 46.46 92.56 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 116.065 -0.516 . . . . 72.4 112.911 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 7.8 m-20 65.54 7.99 4.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.086 1.354 . . . . 72.11 113.267 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -96.96 126.36 42.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.401 -0.963 . . . . 71.34 108.401 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -90.96 108.73 20.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 121.727 0.775 . . . . 75.34 109.394 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.1 m -107.52 105.29 15.12 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.604 -1.18 . . . . 71.15 109.194 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 68.3 t -111.73 110.35 31.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 123.866 0.866 . . . . 72.13 108.855 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 56' ' ' SER . 41.2 tt0 . . . . . 0 C--O 1.245 0.836 0 C-N-CA 123.57 0.748 . . . . 64.04 109.858 -177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.239 0.525 0 CA-C-O 121.449 0.642 . . . . 65.23 109.566 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 37' ' ' LEU . 44.9 mt -80.93 103.22 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.496 -1.229 . . . . 71.41 108.999 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.417 ' H ' ' HB ' ' A' ' 61' ' ' THR . 60.7 tt0 -87.38 113.32 22.98 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.567 0.747 . . . . 75.42 109.222 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.53 106.55 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.373 1.069 . . . . 71.1 108.257 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -108.47 143.13 37.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.918 0.887 . . . . 72.13 109.178 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.56 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.9 t-20 -146.15 116.35 7.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.123 -1.066 . . . . 73.45 108.123 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -101.95 111.85 24.26 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.343 1.057 . . . . 71.51 108.308 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 107.994 -1.113 . . . . 70.44 107.994 -175.109 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.1 m-85 . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.263 0.078 . . . . 71.4 111.077 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.7 m -139.44 122.08 16.34 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.356 0.662 . . . . 64.42 110.423 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -123.04 156.05 35.63 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.33 1.052 . . . . 73.21 108.783 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.3 m -132.45 112.2 11.93 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.968 -0.752 . . . . 75.3 108.968 172.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -116.11 143.16 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 109.067 -0.716 . . . . 73.4 109.067 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 t -104.02 16.07 27.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.061 0.544 . . . . 65.3 109.671 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.565 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 9.3 m -145.63 142.16 28.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.103 0.561 . . . . 61.31 109.976 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.39 -31.65 58.1 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.431 1.092 . . . . 73.04 111.007 -172.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -62.41 -38.46 89.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.385 -0.825 . . . . 71.15 110.42 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.565 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 29.1 mm-40 -67.1 -23.98 65.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.507 -0.77 . . . . 74.24 111.968 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 12' ' ' ILE . 65.3 mt -59.08 -42.68 91.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.469 0.708 . . . . 74.32 111.187 171.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -59.6 -53.93 52.37 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.319 0.647 . . . . 73.32 110.245 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.68 -45.73 88.77 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.527 0.331 . . . . 74.24 111.595 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 37' ' ' LEU . 3.2 p -72.81 -22.27 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 116.53 -0.304 . . . . 74.51 111.303 -171.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -84.58 -22.58 30.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.078 0.551 . . . . 70.32 111.812 173.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -64.3 -49.45 71.73 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.869 0.467 . . . . 65.44 110.241 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.31 -46.63 69.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.708 -0.678 . . . . 73.12 110.712 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.72 -28.64 70.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.678 0.791 . . . . 72.15 111.892 -173.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG3' HD21 ' A' ' 82' ' ' LEU . 19.6 ttpp -49.77 -51.11 41.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.8 1.24 . . . . 62.13 112.251 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.51 -31.18 63.57 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.181 -0.918 . . . . 63.5 111.409 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -70.68 -44.48 66.92 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.052 0.541 . . . . 71.04 110.793 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.53 -40.45 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.625 1.17 . . . . 72.14 110.123 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.6 tttt -56.4 -48.61 76.57 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.071 0.948 . . . . 70.4 111.262 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt . . . . . 0 CA--C 1.549 0.914 0 CA-C-N 114.772 -1.104 . . . . 63.55 111.156 -177.702 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.15 0.5 . . . . 75.23 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 p -138.44 117.02 12.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.429 1.091 . . . . 72.13 109.594 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 99' ' ' GLU . 31.1 ttp-105 -92.84 109.17 20.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.648 0.779 . . . . 71.43 110.128 -174.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -97.89 145.62 26.25 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.4 0.68 . . . . 74.42 109.364 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -145.33 132.47 20.42 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.9 0.88 . . . . 64.24 108.688 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -121.26 130.58 74.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 123.54 0.736 . . . . 72.1 109.048 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 49.0 m -73.24 111.98 8.86 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.196 0.935 . . . . 74.12 110.212 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 94' ' ' ASP . . . -113.13 160.69 17.95 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 106.107 -1.812 . . . . 75.14 106.107 169.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 2.5 mmp_? -104.77 -32.36 8.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.715 -0.616 . . . . 72.33 109.873 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.9 p -126.02 161.88 26.54 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 124.451 1.1 . . . . 65.1 108.785 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -67.86 -26.81 66.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.735 0.414 . . . . 74.53 111.561 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -63.23 -29.85 71.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.624 0.77 . . . . 54.44 110.606 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.3 mt-10 -83.25 -33.71 25.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.048 -0.524 . . . . 74.54 110.657 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.97 71.37 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 122.854 0.462 . . . . 64.55 111.758 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.33 -38.32 56.11 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.833 0.453 . . . . 70.32 111.454 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.4 pttt -75.34 -26.57 58.71 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.993 0.425 . . . . 75.04 110.614 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -88.66 -18.06 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.139 0.576 . . . . 75.12 111.497 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.421 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.78 -44.78 96.35 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.224 -1.028 . . . . 71.54 108.224 165.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.9 78.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.403 -0.817 . . . . 72.23 111.646 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.79 -57.75 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.56 0.744 . . . . 64.53 111.114 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.94 -37.86 87.15 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.632 0.975 . . . . 72.31 113.632 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 72' ' ' ALA . 1.7 mp -68.5 -37.28 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.5 0.72 . . . . 74.22 110.476 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -45.98 77.01 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.279 0.632 . . . . 51.22 110.978 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 41' ' ' LEU . 54.6 t -60.06 -53.75 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.977 0.911 . . . . 75.21 110.936 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' HB3' HD12 ' A' ' 87' ' ' ILE . 19.5 m-85 -72.44 -17.68 61.76 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.607 -0.724 . . . . 72.22 112.381 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.41 80.6 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.957 0.408 . . . . 72.31 110.382 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.1 -25.83 61.02 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.874 -0.603 . . . . 52.05 110.898 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 49' ' ' LYS . 47.0 mt -83.06 -23.76 33.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.049 0.54 . . . . 73.45 111.13 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.944 0 N-CA-C 110.93 -0.868 . . . . 51.31 110.93 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 79' ' ' TYR . 15.4 mm . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.472 -0.566 . . . . 73.14 109.472 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -89.62 125.17 35.13 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.839 -0.8 . . . . 70.32 108.839 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.48 144.99 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.392 1.077 . . . . 71.45 109.652 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 97' ' ' THR . 90.4 m -128.69 132.53 48.03 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.487 1.115 . . . . 74.23 108.339 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.71 99.82 8.0 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.35 -0.981 . . . . 74.12 108.35 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.93 68.65 1.28 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.888 0.851 . . . . 64.05 109.155 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.55 -97.19 0.23 Allowed Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.177 -1.374 . . . . 71.42 113.556 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 9.1 p-10 -92.3 -8.09 46.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 53.15 110.986 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -115.33 120.08 38.44 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.924 -0.485 . . . . 63.33 109.882 -176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.21 130.99 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.38 -0.6 . . . . 71.42 109.38 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 54.4 m -128.38 137.47 51.89 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.278 1.031 . . . . 64.12 110.149 -171.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.64 114.2 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.146 0.978 . . . . 73.35 109.798 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 57' ' ' ARG . 35.6 tt0 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 124.465 1.106 . . . . 74.23 110.095 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.095 0.474 . . . . 73.15 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.602 HG21 HD11 ' A' ' 37' ' ' LEU . 32.1 mt -107.86 105.37 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.038 -1.097 . . . . 75.43 108.038 175.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' A' ' 15' ' ' GLN . 6.3 tp-100 -87.9 120.47 29.27 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.22 0.608 . . . . 73.53 110.422 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' THR . 41.9 t -96.12 125.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 107.971 -1.122 . . . . 70.42 107.971 173.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' A' ' 13' ' ' GLN . 54.8 mt-30 -133.02 153.12 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.13 0.972 . . . . 72.31 109.471 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.615 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.5 t-20 -144.79 151.26 38.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.657 0.783 . . . . 52.31 109.715 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.46 108.82 8.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.058 -1.09 . . . . 73.53 108.058 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 . . . . . 0 C--O 1.24 0.595 0 N-CA-C 109.026 -0.731 . . . . 73.1 109.026 178.188 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.615 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 21.4 m-85 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 121.419 0.628 . . . . 74.3 111.627 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 90.6 m -86.04 116.85 24.51 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.329 -0.851 . . . . 74.23 109.72 -173.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -132.02 122.49 25.58 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.021 -1.103 . . . . 64.23 108.021 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -94.61 106.83 18.82 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.533 -0.914 . . . . 63.34 108.533 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 12' ' ' ILE . 26.3 m -100.73 173.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.228 -1.027 . . . . 72.24 108.228 172.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -135.17 -9.85 2.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.902 0.481 . . . . 72.51 110.734 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.631 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.2 m -117.41 142.78 46.72 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.932 0.893 . . . . 50.01 109.119 -177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.28 -33.44 75.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.84 0.856 . . . . 74.21 110.407 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -59.31 -38.58 80.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.187 0.995 . . . . 54.33 112.0 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.2 mt-10 -65.37 -28.84 69.56 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.361 -0.836 . . . . 72.13 111.91 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD11 HG21 ' A' ' 12' ' ' ILE . 73.1 mt -60.46 -40.81 92.54 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.657 0.598 . . . . 74.53 111.247 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.35 -30.34 71.39 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.727 0.411 . . . . 62.41 111.218 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -57.52 3.8 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.885 0.874 . . . . 52.54 110.7 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.29 -27.75 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.591 0.756 . . . . 73.22 111.821 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.0 mm? -75.27 -37.96 60.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.146 0.578 . . . . 72.32 111.752 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -69.75 -35.3 74.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.062 0.545 . . . . 72.42 112.037 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 -40.05 55.27 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.279 -0.267 . . . . 73.02 110.279 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.47 -28.26 69.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.348 1.059 . . . . 64.52 111.378 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HB2' HG13 ' A' ' 78' ' ' VAL . 38.2 ttpt -48.02 -51.17 25.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.439 1.495 . . . . 71.22 112.034 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.53 -28.89 65.28 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.849 0.86 . . . . 74.45 112.559 -176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.81 -55.08 10.79 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.827 0.451 . . . . 70.22 110.379 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 56' ' ' SER . 65.5 mt -61.74 -32.13 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 124.471 1.108 . . . . 51.51 111.058 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -57.59 -51.61 68.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.729 1.212 . . . . 64.32 110.923 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 CA--C 1.544 0.727 0 CA-C-N 114.451 -1.25 . . . . 72.13 110.845 -175.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.452 -0.573 . . . . 74.45 109.452 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB2' HG23 ' A' ' 48' ' ' ILE . 15.2 m -74.7 120.05 19.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.714 0.806 . . . . 75.42 110.421 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 42.0 ttm180 -92.28 115.04 27.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.329 1.052 . . . . 70.22 110.621 -171.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -102.48 143.05 32.69 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.289 0.636 . . . . 73.2 110.868 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -134.13 120.65 20.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.578 1.151 . . . . 75.12 109.13 174.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.473 HD11 HD21 ' A' ' 41' ' ' LEU . 47.9 mt -107.93 136.62 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 124.076 0.95 . . . . 75.34 108.909 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -62.94 117.89 7.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.256 0.55 . . . . 51.52 111.779 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.45 160.82 17.38 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.569 1.148 . . . . 74.01 108.469 168.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -116.85 -77.3 0.57 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.852 -0.796 . . . . 64.15 108.852 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.1 p -84.67 160.25 20.39 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.706 -0.85 . . . . 72.41 108.706 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.45 -19.5 62.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.343 0.657 . . . . 71.42 111.303 -177.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -44.84 80.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.198 0.599 . . . . 74.03 110.276 169.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 44.4 mt-10 -68.03 -28.69 67.62 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.474 -0.785 . . . . 73.12 110.695 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.425 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -67.96 -33.56 74.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.241 -0.891 . . . . 72.42 111.154 175.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 42.3 mt-10 -70.17 -49.77 47.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 73.01 111.394 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 21.8 pttp -69.09 -30.59 68.93 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 116.346 -0.388 . . . . 73.11 112.043 -175.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.0 m-30 -89.01 -19.72 25.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.215 0.45 . . . . 74.33 112.215 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -62.75 -42.96 99.92 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.951 -0.759 . . . . 55.53 108.951 166.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -58.45 -41.64 85.59 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.652 -0.704 . . . . 74.43 111.333 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 37' ' ' LEU . 68.4 mt -58.74 -38.71 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.123 0.969 . . . . 64.33 111.318 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 79' ' ' TYR . 24.3 mt -66.42 -55.36 16.1 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.42 -0.809 . . . . 52.3 111.512 175.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 89' ' ' VAL . 1.6 mp -59.32 -33.64 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 C-N-CA 123.96 0.904 . . . . 61.14 112.292 -170.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 56.1 mtpt -57.9 -37.01 73.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.23 0.612 . . . . 72.21 111.462 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 41' ' ' LEU . 70.0 t -74.74 -49.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.544 1.138 . . . . 74.25 111.139 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' HD1' HD12 ' A' ' 82' ' ' LEU . 23.6 m-85 -77.12 -16.91 59.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.36 0.664 . . . . 74.35 112.221 -171.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.79 94.94 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.614 0.571 . . . . 74.25 109.946 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.66 -34.69 58.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.069 0.948 . . . . 65.24 111.508 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.428 HD12 ' HD1' ' A' ' 79' ' ' TYR . 52.4 mt -76.06 -14.74 60.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.345 0.658 . . . . 63.15 112.581 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.886 0 CA-C-N 116.343 -0.39 . . . . 71.04 112.262 176.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.541 HG21 HG13 ' A' ' 76' ' ' ILE . 33.6 mm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.745 0.307 . . . . 65.13 110.765 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -115.41 111.15 20.39 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.181 -1.044 . . . . 60.41 108.181 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 76' ' ' ILE . 7.9 t -101.08 133.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.015 -0.735 . . . . 61.33 109.015 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 p -133.57 125.54 29.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.901 0.88 . . . . 54.15 109.222 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -97.9 102.94 14.82 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.392 0.677 . . . . 73.1 109.343 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.8 t70 -70.03 -38.3 75.82 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.542 0.737 . . . . 63.11 110.348 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.25 -55.6 0.55 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 110.695 -0.962 . . . . 61.32 110.695 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.02 -18.56 39.35 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.212 0.605 . . . . 64.43 110.394 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 6.1 p -144.34 153.97 42.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.224 1.01 . . . . 73.11 111.264 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.425 HG11 ' O ' ' A' ' 68' ' ' ALA . 13.4 m -106.36 125.82 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.786 0.834 . . . . 62.31 109.286 166.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.3 m -117.73 132.07 56.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.031 0.933 . . . . 75.1 110.06 -172.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.6 t -128.27 117.3 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.296 0.639 . . . . 73.45 109.684 173.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 107.99 -1.115 . . . . 74.25 107.99 171.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.635 0.731 . . . . 73.31 111.123 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 96.4 mt -106.89 121.89 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.299 1.44 . . . . 74.03 110.338 -169.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.57 126.94 39.01 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.657 0.383 . . . . 54.12 110.028 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.64 114.93 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.257 1.023 . . . . 64.12 108.686 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -113.47 140.78 47.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.244 1.018 . . . . 75.4 109.05 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 27.1 t-20 -138.18 147.84 44.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.363 0.665 . . . . 65.11 109.682 173.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -131.71 110.79 11.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.643 0.777 . . . . 65.02 110.203 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' A' ' 48' ' ' ILE . 90.0 m-20 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 107.593 -1.262 . . . . 62.13 107.593 167.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.644 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 97.1 m-85 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 110.237 -0.283 . . . . 74.32 110.237 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.5 m -86.27 134.85 33.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.325 0.65 . . . . 72.24 110.872 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -133.04 159.13 40.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.71 1.204 . . . . 73.34 108.854 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -124.92 112.02 16.13 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.769 -0.826 . . . . 74.42 108.769 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG11 ' HA ' ' A' ' 37' ' ' LEU . 33.1 m -114.46 126.02 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.968 -0.752 . . . . 74.13 108.968 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -89.74 -17.92 27.36 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.338 0.59 . . . . 73.12 109.873 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -139.02 152.48 47.65 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.987 0.915 . . . . 71.41 109.994 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.41 -22.14 66.86 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.289 1.036 . . . . 74.04 112.85 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -64.28 -37.64 88.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.058 0.543 . . . . 70.22 110.469 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 22.6 mm-40 -73.18 -38.46 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.841 0.857 . . . . 74.25 110.042 178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HA ' HG11 ' A' ' 31' ' ' VAL . 8.9 tp -55.94 -42.49 76.26 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.654 1.182 . . . . 64.35 112.4 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -62.96 -26.77 68.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.447 -0.797 . . . . 71.31 111.434 -174.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.65 -48.04 23.81 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.254 0.621 . . . . 50.2 109.94 174.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 16.1 m -67.98 -26.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-O 118.858 -0.591 . . . . 73.24 112.165 -172.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.533 ' HG ' HG22 ' A' ' 74' ' ' ILE . 3.8 mm? -80.07 -40.05 28.44 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.46 0.573 . . . . 72.43 112.259 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -63.96 -43.97 94.19 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.648 0.592 . . . . 75.44 109.527 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.36 -40.04 70.9 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.125 -0.488 . . . . 71.44 110.705 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 35.3 tp -63.44 -29.62 70.87 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.464 0.705 . . . . 75.12 110.668 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -54.45 -39.99 67.96 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.915 0.886 . . . . 73.11 110.838 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.07 -41.63 70.45 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.662 0.785 . . . . 62.03 111.068 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -58.84 -42.33 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.325 0.65 . . . . 73.42 111.941 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.64 ' HA ' HD21 ' A' ' 18' ' ' ASN . 69.0 mt -74.46 -45.63 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.64 0.776 . . . . 73.14 110.681 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.34 -37.93 71.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.751 0.82 . . . . 74.51 111.373 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 N--CA 1.476 0.86 0 O-C-N 123.462 0.476 . . . . 65.11 110.317 -179.195 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 120.682 0.277 . . . . 61.01 110.312 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.481 ' HB3' ' HE1' ' A' ' 79' ' ' TYR . 35.2 t -139.29 117.1 11.57 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.975 0.91 . . . . 62.23 108.718 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -114.2 108.93 17.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.498 0.719 . . . . 60.43 109.801 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m -103.38 121.13 42.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.476 0.711 . . . . 73.41 109.713 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -119.84 130.34 54.84 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 109.189 -0.671 . . . . 61.43 109.189 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.521 HG21 ' CD2' ' A' ' 71' ' ' PHE . 22.4 mt -126.65 139.88 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.156 0.982 . . . . 70.14 110.692 -171.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 47.2 m -66.55 105.55 1.54 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.915 0.886 . . . . 70.44 111.146 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.08 128.36 46.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.805 0.842 . . . . 71.03 109.825 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 29.9 mmt180 -80.08 -35.7 36.61 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.752 -0.592 . . . . 71.34 111.067 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -131.55 178.73 6.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.372 1.069 . . . . 65.34 108.913 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -74.14 -20.77 60.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.225 0.21 . . . . 73.1 110.527 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -72.0 -29.14 63.91 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.189 0.596 . . . . 74.35 109.854 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 5.5 mm-40 -75.31 -43.27 51.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.03 -0.73 . . . . 64.34 109.03 171.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -57.43 -41.16 79.89 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.427 -0.806 . . . . 60.05 112.154 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.74 -43.25 63.17 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.504 0.321 . . . . 70.44 111.837 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 62.9 pttt -74.33 -43.29 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 119.499 -0.286 . . . . 75.34 110.517 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 39.4 m-85 -64.41 -35.91 82.45 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.489 0.493 . . . . 75.51 110.392 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.618 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -56.51 -47.65 78.89 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.828 0.705 . . . . 75.31 110.938 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.17 98.94 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.226 0.954 . . . . 63.53 110.87 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.533 HG22 ' HG ' ' A' ' 41' ' ' LEU . 88.8 mt -60.24 -25.38 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.049 0.939 . . . . 61.21 110.93 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 58.5 mt -81.35 -42.46 20.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.047 0.539 . . . . 74.44 110.284 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.76 -35.51 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 124.861 1.265 . . . . 61.32 111.284 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -60.77 -46.2 91.42 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 63.25 110.683 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 41' ' ' LEU . 61.9 t -60.72 -52.53 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.897 0.879 . . . . 75.1 110.717 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.481 ' HE1' ' HB3' ' A' ' 56' ' ' SER . 72.9 m-85 -69.68 -24.25 63.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.187 0.595 . . . . 74.12 112.345 -177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.92 89.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.865 0.466 . . . . 74.11 110.428 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -36.34 83.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.397 -0.82 . . . . 70.2 110.716 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 85.0 mt -71.39 -23.91 61.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.595 0.758 . . . . 61.33 112.137 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.441 0 C-N-CA 121.277 -0.487 . . . . 62.51 113.902 177.025 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 109.129 -0.693 . . . . 72.53 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.24 123.93 33.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.53 -0.915 . . . . 60.33 108.53 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.81 141.76 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.426 0.69 . . . . 74.14 109.539 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -144.75 139.29 27.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.533 1.133 . . . . 75.45 108.422 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.45 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 17.8 m-90 -110.86 100.84 9.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.652 -0.87 . . . . 74.31 108.652 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.7 t70 -61.09 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.771 0.828 . . . . 75.14 110.826 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.44 -84.9 0.17 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.594 -1.002 . . . . 72.32 110.594 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.68 0.27 44.06 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.505 0.722 . . . . 75.14 110.627 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 7.0 m -140.33 143.04 35.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.081 0.952 . . . . 73.45 108.476 171.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.6 p -111.66 145.43 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.014 -0.736 . . . . 61.33 109.014 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.2 m -130.33 132.16 45.71 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.448 0.699 . . . . 72.04 110.022 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.6 t -126.0 132.28 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.501 1.12 . . . . 74.44 108.715 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 124.455 1.102 . . . . 72.24 109.178 179.805 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 121.066 0.46 . . . . 74.41 111.247 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.466 HG21 HD22 ' A' ' 37' ' ' LEU . 76.0 mt -80.33 103.67 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 114.943 -1.026 . . . . 62.51 109.097 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.478 ' H ' ' HB ' ' A' ' 61' ' ' THR . 26.3 tp60 -89.71 120.83 31.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.069 0.948 . . . . 74.1 109.188 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.05 114.13 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 106.601 -1.629 . . . . 71.12 106.601 -174.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 28' ' ' THR . 51.7 mt-30 -123.25 105.14 9.61 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.59 -0.522 . . . . 74.42 109.59 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' HB2' HD11 ' A' ' 44' ' ' LEU . 27.4 t-20 -103.98 130.41 51.63 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.394 -0.965 . . . . 75.54 108.394 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 56' ' ' SER . 3.1 t-20 -101.14 110.06 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.929 -1.137 . . . . 74.33 107.929 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.239 0.52 0 N-CA-C 106.651 -1.611 . . . . 62.44 106.651 178.305 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.645 0.736 . . . . 72.33 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 15' ' ' GLN . 5.4 p -94.9 134.95 37.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.825 -1.08 . . . . 65.3 111.189 177.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.61 156.26 49.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.656 1.182 . . . . 71.31 108.923 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.5 m -129.27 109.38 11.07 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.53 -0.915 . . . . 72.23 108.53 172.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 14.9 m -113.78 146.94 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.383 0.673 . . . . 70.31 109.807 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 t -101.68 -19.38 15.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.111 0.565 . . . . 62.43 110.666 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.51 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.0 m -118.42 143.27 46.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.881 0.873 . . . . 51.44 109.203 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.06 -27.74 67.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.677 0.791 . . . . 64.12 112.215 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -64.97 -41.59 95.3 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.663 0.385 . . . . 75.14 110.919 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.3 mt-10 -63.13 -33.26 75.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.078 0.551 . . . . 64.34 110.55 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.49 HD11 HD13 ' A' ' 60' ' ' ILE . 55.0 tp -60.8 -41.33 95.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.545 0.738 . . . . 71.25 110.809 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -70.6 -32.18 69.44 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.661 -0.699 . . . . 73.2 111.124 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -70.87 -43.03 69.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.422 0.689 . . . . 71.23 111.178 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.9 m -74.3 -26.6 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 119.67 -0.205 . . . . 72.3 111.084 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mm? -74.66 -34.75 62.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.467 0.707 . . . . 72.42 111.037 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 18.6 t30 -55.68 -51.35 67.58 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.27 1.028 . . . . 73.1 110.578 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.16 -33.47 59.37 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.014 0.526 . . . . 44.32 111.612 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 16' ' ' ASN . 9.5 tt -58.49 -33.75 70.14 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.467 1.107 . . . . 75.51 111.38 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.5 ttpt -54.58 -47.09 73.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.317 1.047 . . . . 74.22 112.103 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.21 -34.73 79.05 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.958 -1.019 . . . . 72.23 110.957 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -73.09 -37.19 66.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.3 -0.864 . . . . 72.55 111.996 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.3 mt -70.05 -43.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.602 -0.518 . . . . 73.41 109.602 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -65.8 -21.74 66.51 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.019 0.927 . . . . 74.23 111.77 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? . . . . . 0 N--CA 1.48 1.041 0 C-N-CA 124.277 1.031 . . . . 74.14 111.788 175.348 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 109.83 -0.433 . . . . 64.22 109.83 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' ASN . 59.0 p -139.83 111.96 7.58 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.799 0.84 . . . . 73.55 109.578 176.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -99.34 109.36 21.99 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.608 -0.516 . . . . 74.02 109.608 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -112.54 132.82 54.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.719 0.408 . . . . 70.22 110.218 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 4.8 t -134.82 119.99 18.81 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.969 -1.123 . . . . 72.51 107.969 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.49 HD13 HD11 ' A' ' 37' ' ' LEU . 62.6 mt -115.11 120.22 64.0 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 C-N-CA 124.414 1.085 . . . . 75.31 109.353 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.478 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 33.0 m -65.36 103.42 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 121.703 0.763 . . . . 73.12 110.133 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.73 127.5 53.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.194 -1.366 . . . . 32.13 107.462 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.03 -21.22 65.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.855 0.687 . . . . 74.22 112.855 -170.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -138.01 167.78 21.08 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.53 0.732 . . . . 73.33 109.921 173.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.83 -33.09 74.9 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.719 0.807 . . . . 52.15 111.011 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -68.69 -24.04 64.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.374 0.607 . . . . 74.23 110.237 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 50.9 mt-10 -83.97 -33.68 24.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 64.45 110.876 172.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.463 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -67.24 -36.15 81.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.909 -0.587 . . . . 61.53 111.227 -178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.62 -38.31 73.91 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.405 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -74.4 -30.31 61.89 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.904 -0.497 . . . . 75.12 111.165 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -83.69 -16.02 46.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.818 0.447 . . . . 75.21 111.807 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.21 82.26 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.541 -0.541 . . . . 44.54 109.541 166.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.37 78.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.136 -0.938 . . . . 51.2 111.735 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.49 HG22 ' HG ' ' A' ' 41' ' ' LEU . 50.1 mt -57.5 -38.06 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.453 0.701 . . . . 65.14 111.003 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.0 mt -75.43 -43.85 47.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.5 -0.318 . . . . 71.21 111.485 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.496 HG12 HG21 ' A' ' 87' ' ' ILE . 60.3 mt -66.11 -40.11 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.203 0.601 . . . . 60.13 110.915 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -64.55 -35.37 80.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.412 0.685 . . . . 71.52 111.677 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 41' ' ' LEU . 71.1 t -80.69 -49.89 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.479 0.711 . . . . 45.24 111.462 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 1.5 m-85 -75.95 -33.17 59.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.04 0.936 . . . . 65.33 112.385 -168.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -21.5 65.96 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.031 0.207 . . . . 42.24 111.507 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.23 -37.03 84.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.585 0.754 . . . . 74.5 110.747 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.37 -22.79 47.38 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.172 -0.922 . . . . 73.34 110.503 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.608 0 CA-C-N 115.387 -0.824 . . . . 74.14 111.705 179.431 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.496 HG21 HG12 ' A' ' 76' ' ' ILE . 36.9 mm . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 108.861 -0.792 . . . . 74.44 108.861 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.73 106.53 18.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.154 -1.054 . . . . 73.23 108.154 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.87 128.67 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.523 0.729 . . . . 72.44 109.623 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -137.46 155.68 49.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.69 1.196 . . . . 71.13 107.965 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.463 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 8.5 m-90 -125.94 106.49 9.67 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.31 -0.626 . . . . 71.14 109.31 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -110.86 91.02 3.5 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.097 0.959 . . . . 72.22 109.675 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.28 49.28 9.59 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 116.011 -0.541 . . . . 75.34 113.258 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 65.57 2.66 2.12 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.087 1.355 . . . . 73.45 113.171 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.2 m -98.9 136.82 38.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.405 1.082 . . . . 63.43 108.307 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' SER . 5.0 p -90.97 112.32 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.428 0.632 . . . . 73.12 110.352 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -107.31 134.83 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.466 1.106 . . . . 75.11 109.44 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.18 132.88 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.563 1.145 . . . . 74.35 107.977 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 123.519 0.728 . . . . 73.41 109.755 175.323 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.489 -0.56 . . . . 72.11 109.489 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 14.6 mt -78.65 104.16 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 114.874 -1.057 . . . . 73.44 110.298 -170.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -93.28 112.46 24.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.095 -0.706 . . . . 74.13 109.095 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t -91.59 105.62 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.979 -1.489 . . . . 72.13 106.979 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.88 106.02 16.33 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.634 -0.876 . . . . 73.34 108.634 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.653 HD21 ' HB3' ' A' ' 56' ' ' SER . 25.7 t-20 -105.49 112.73 25.94 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.491 -0.929 . . . . 74.14 108.491 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -103.48 111.35 23.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.381 -1.34 . . . . 72.43 107.381 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 47.0 t30 . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 123.493 0.717 . . . . 71.01 109.606 -175.237 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 109.456 -0.572 . . . . 73.04 109.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 m -120.16 130.2 54.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.15 0.58 . . . . 44.51 110.315 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -124.02 146.89 48.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.51 1.124 . . . . 65.14 108.267 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.1 m -132.21 116.12 16.55 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.435 0.562 . . . . 75.33 109.884 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.54 133.34 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.287 1.035 . . . . 64.23 109.056 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -87.24 -6.03 58.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.01 0.524 . . . . 61.43 110.988 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 m -128.48 143.35 50.97 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.392 0.677 . . . . 64.35 110.547 -175.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.42 -45.46 88.4 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.232 1.413 . . . . 63.52 112.427 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -65.71 -30.78 71.51 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.195 0.998 . . . . 43.1 112.927 -173.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 17.1 mm-40 -69.22 -37.42 78.03 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.906 0.883 . . . . 75.32 111.113 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 ' O ' HG22 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -57.45 -39.14 75.66 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.502 -1.226 . . . . 74.4 112.614 -177.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -65.49 -18.9 65.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.851 -0.613 . . . . 71.23 111.79 -171.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.81 -42.95 18.97 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.611 0.764 . . . . 64.25 110.421 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 37' ' ' LEU . 3.1 m -65.95 -22.52 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 122.835 0.454 . . . . 72.41 111.444 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' HB3' HG21 ' A' ' 78' ' ' VAL . 3.8 mm? -71.51 -41.6 69.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.001 0.92 . . . . 63.22 111.405 175.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.32 -37.46 87.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.22 0.608 . . . . 65.22 110.056 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.7 -50.1 68.29 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.505 -0.77 . . . . 72.31 110.136 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.72 -39.62 74.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.7 1.2 . . . . 73.22 111.514 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -55.93 -54.13 48.5 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.56 1.144 . . . . 73.22 111.57 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.21 -39.03 82.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.293 0.996 . . . . 72.11 110.883 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -66.54 -38.56 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.448 0.699 . . . . 70.23 111.142 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.97 -47.48 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.803 0.841 . . . . 64.2 110.221 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.62 -26.6 65.43 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.094 0.558 . . . . 55.0 111.778 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 CA--C 1.549 0.911 0 C-N-CA 123.824 0.85 . . . . 55.24 111.143 178.645 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.786 0.327 . . . . 73.32 110.695 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.653 ' HB3' HD21 ' A' ' 16' ' ' ASN . 35.6 m -120.39 119.17 32.28 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.969 0.908 . . . . 65.41 110.625 -174.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HE ' ' HG3' ' A' ' 99' ' ' GLU . 11.6 ttm180 -102.51 109.6 21.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.519 0.728 . . . . 71.54 110.228 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 m -103.86 129.81 51.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.951 0.5 . . . . 73.51 109.841 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -127.3 119.1 25.52 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.433 -1.321 . . . . 63.41 107.433 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 71' ' ' PHE . 37.0 mt -113.32 132.52 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.731 0.812 . . . . 74.12 110.113 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.0 m -54.7 119.85 5.91 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.359 1.064 . . . . 52.11 112.422 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.02 146.95 52.56 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.369 -1.345 . . . . 64.11 107.369 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -100.21 -27.0 13.74 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.549 -0.537 . . . . 74.31 109.549 173.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.0 p -130.58 160.52 33.93 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 124.745 1.218 . . . . 44.04 109.079 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 13.8 ptmm? -73.32 -23.2 60.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.627 0.371 . . . . 73.15 111.86 -174.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.63 -34.88 72.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.833 0.453 . . . . 64.42 111.209 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.97 93.18 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.5 -0.556 . . . . 64.14 109.5 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.13 69.86 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.117 -0.947 . . . . 72.51 111.78 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 58.4 mm-40 -70.28 -53.13 18.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.835 0.454 . . . . 72.43 111.859 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' NZ ' ' HE1' ' A' ' 71' ' ' PHE . 20.7 pttp -69.69 -32.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.429 0.529 . . . . 63.23 112.429 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 60' ' ' ILE . 36.3 m-85 -76.34 -28.48 56.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.484 0.314 . . . . 73.12 111.092 174.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -66.32 -41.27 89.91 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 109.837 -0.431 . . . . 73.24 109.837 171.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.62 94.85 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.132 0.573 . . . . 74.44 110.483 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.497 HG22 ' HG ' ' A' ' 41' ' ' LEU . 96.5 mt -62.48 -42.67 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.077 0.951 . . . . 74.43 110.561 174.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.456 HD13 ' HB ' ' A' ' 98' ' ' VAL . 26.8 mt -63.06 -57.71 9.73 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.88 0.872 . . . . 72.12 111.588 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.726 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -51.48 -36.74 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.177 1.391 . . . . 65.52 111.703 -176.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.29 -48.64 79.01 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.477 0.711 . . . . 51.14 112.094 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' LEU . 58.4 t -64.48 -51.14 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.408 1.083 . . . . 41.35 110.441 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.469 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 5.3 m-85 -72.91 -16.56 61.56 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.643 -1.617 . . . . 71.45 111.788 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.58 75.8 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.748 0.819 . . . . 71.43 110.896 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.73 -27.25 64.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.61 0.764 . . . . 70.54 110.671 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.8 mt -92.67 -26.72 17.68 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.741 0.816 . . . . 74.41 111.379 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.191 0 CA-C-O 119.813 -0.437 . . . . 64.33 114.024 -170.029 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.726 ' HB ' HG13 ' A' ' 76' ' ' ILE . 48.5 mm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.045 -0.354 . . . . 64.51 110.045 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -88.08 126.16 34.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.936 0.894 . . . . 53.33 110.161 -167.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.0 p -122.2 137.57 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 124.396 1.079 . . . . 73.12 109.684 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 m -142.2 152.64 43.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.22 1.008 . . . . 73.0 108.529 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -127.81 128.1 44.68 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.051 0.54 . . . . 73.33 109.638 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.17 142.71 13.3 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.666 0.787 . . . . 74.25 109.644 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.37 33.75 88.08 Favored Glycine 0 C--N 1.345 1.028 0 O-C-N 123.458 0.474 . . . . 52.32 112.731 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 69.36 2.17 3.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 125.298 1.439 . . . . 73.35 111.614 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.6 m -116.64 142.44 46.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.535 1.134 . . . . 54.53 109.705 -165.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -92.6 114.22 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.281 0.562 . . . . 52.02 110.634 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -108.2 104.75 14.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.108 0.963 . . . . 75.1 110.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.456 ' HB ' HD13 ' A' ' 75' ' ' LEU . 38.7 t -99.8 123.03 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.16 0.984 . . . . 73.11 109.447 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' HG3' ' HE ' ' A' ' 57' ' ' ARG . 1.1 tm-20 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 108.7 -0.852 . . . . 64.4 108.7 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.269 0.557 . . . . 74.31 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' A' ' 31' ' ' VAL . 37.7 mt -97.62 101.42 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 108.276 -1.009 . . . . 65.34 108.276 174.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -101.04 117.31 34.77 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.339 0.655 . . . . 72.43 109.429 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG22 HG12 ' A' ' 60' ' ' ILE . 67.7 t -92.94 106.82 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.917 1.287 . . . . 52.13 108.536 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.478 ' HA ' HG23 ' A' ' 28' ' ' THR . 96.4 mt-30 -99.0 106.02 18.23 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.855 -0.795 . . . . 64.51 108.855 174.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.63 143.05 36.64 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.886 -0.783 . . . . 73.44 108.886 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -138.68 139.64 38.52 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.806 -1.183 . . . . 65.24 107.806 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.476 0.873 0 C-N-CA 123.603 0.761 . . . . 64.24 109.731 -176.38 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.189 0.518 . . . . 52.44 110.568 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.478 HG23 ' HA ' ' A' ' 15' ' ' GLN . 98.9 m -86.11 119.01 25.93 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.059 -0.519 . . . . 73.42 109.994 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.09 161.53 27.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.735 1.214 . . . . 65.1 109.566 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -131.16 119.4 21.83 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.364 -0.606 . . . . 75.42 109.364 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 27.1 m -108.89 150.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.172 0.989 . . . . 64.05 109.073 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 t -94.86 -11.77 28.17 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.355 0.502 . . . . 71.21 112.355 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.608 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 37.6 m -145.34 155.21 43.05 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.236 0.614 . . . . 75.14 110.805 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.28 -37.79 78.54 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.798 1.239 . . . . 74.41 112.034 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -56.33 -48.63 76.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.686 0.794 . . . . 73.3 110.598 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 8.3 mm-40 -67.4 -25.54 65.99 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.217 -0.901 . . . . 62.33 110.909 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HA ' HG12 ' A' ' 40' ' ' VAL . 39.1 tp -70.15 -41.89 73.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.419 0.688 . . . . 63.02 111.023 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -63.51 -32.75 74.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.763 -0.653 . . . . 71.53 110.566 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.42 -48.64 39.67 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.594 -0.73 . . . . 74.51 110.697 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.3 p -68.45 -35.08 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 119.531 -0.271 . . . . 73.1 111.319 -173.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 78' ' ' VAL . 3.6 mm? -72.92 -30.97 64.31 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.909 0.484 . . . . 71.43 111.547 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.98 -48.83 80.0 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.419 0.688 . . . . 71.44 110.171 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.14 -30.01 54.89 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.127 -0.488 . . . . 75.1 111.104 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 41' ' ' LEU . 26.4 tp -62.0 -33.96 75.31 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.625 0.77 . . . . 75.54 111.141 -175.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.97 -37.33 61.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.377 1.071 . . . . 71.31 111.755 174.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.74 -44.33 77.81 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.124 0.97 . . . . 75.21 110.76 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -67.39 -41.16 85.45 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.444 0.698 . . . . 73.21 111.89 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.41 -21.94 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.017 0.527 . . . . 72.33 110.184 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -70.59 -41.89 71.73 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.321 0.582 . . . . 72.43 109.857 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 CA--C 1.544 0.736 0 CA-C-N 114.636 -1.166 . . . . 61.44 110.711 -179.657 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.392 -0.966 . . . . 55.21 108.392 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -137.71 116.26 12.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.208 0.603 . . . . 61.53 109.952 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.28 142.75 27.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.704 0.801 . . . . 70.2 109.895 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.9 m -140.03 120.47 14.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.589 0.756 . . . . 73.35 109.052 168.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -116.15 130.69 56.92 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.056 0.942 . . . . 64.32 110.057 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.43 HG12 HG22 ' A' ' 14' ' ' VAL . 21.6 mt -114.06 132.5 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.248 0.619 . . . . 70.43 109.776 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 m -64.69 106.64 1.23 Allowed 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.856 0.863 . . . . 61.53 110.834 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . . . -102.3 86.7 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.662 -1.154 . . . . 74.23 109.818 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' H ' ' HD3' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -63.68 -25.27 68.14 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.056 -0.52 . . . . 63.04 110.782 -175.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 p -128.41 162.18 27.74 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 124.471 1.108 . . . . 55.3 108.658 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -62.04 -23.25 66.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.21 0.604 . . . . 72.34 110.754 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -50.92 71.54 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.135 0.974 . . . . 75.2 109.448 176.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.542 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 12.2 mm-40 -60.07 -42.93 95.59 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.393 1.058 . . . . 71.42 109.938 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -56.31 -44.59 80.07 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.793 0.837 . . . . 74.13 112.456 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -72.94 -53.42 11.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.153 0.581 . . . . 63.44 112.109 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 56.4 pttt -72.18 -30.4 64.94 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.381 -0.372 . . . . 62.33 111.994 -172.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.6 m-30 -86.13 -17.88 33.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.494 0.318 . . . . 72.04 111.837 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 89' ' ' VAL . . . -60.47 -44.16 96.19 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.08 -0.711 . . . . 73.4 109.08 167.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.52 70.44 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.484 -0.78 . . . . 71.44 112.004 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.46 -50.34 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.408 0.683 . . . . 75.23 110.534 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.41 -39.15 91.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.616 0.767 . . . . 75.35 112.302 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -63.47 -38.67 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.494 0.717 . . . . 70.14 109.934 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -65.28 -46.67 79.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.556 0.742 . . . . 71.5 111.099 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 41' ' ' LEU . 54.7 t -65.87 -48.86 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.894 0.878 . . . . 64.01 110.973 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -70.68 -21.25 62.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.524 0.564 . . . . 71.53 112.524 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -33.86 72.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.848 0.459 . . . . 73.34 110.503 176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.24 -11.37 60.26 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 63.51 111.636 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.94 -25.91 13.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.26 1.024 . . . . 52.54 110.266 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.082 0 N-CA-C 110.635 -0.986 . . . . 72.43 110.635 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.592 ' HB ' HG13 ' A' ' 76' ' ' ILE . 38.9 mm . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 110.363 -0.236 . . . . 71.23 110.363 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -87.38 132.7 33.88 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.995 0.518 . . . . 73.42 110.039 -175.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.593 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.2 p -133.31 143.33 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.159 0.984 . . . . 73.04 109.416 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -147.02 148.06 31.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.683 1.193 . . . . 51.11 108.231 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.527 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 30.5 m-90 -119.48 117.18 27.75 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.952 0.501 . . . . 74.54 109.862 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.13 -47.18 74.96 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.435 0.635 . . . . 74.11 109.974 172.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.21 -70.39 0.31 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.691 -1.364 . . . . 72.13 109.691 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.78 2.67 55.85 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.079 0.552 . . . . 63.3 110.951 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 m -144.44 148.78 35.02 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 109.248 -0.649 . . . . 61.25 109.248 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.6 p -113.48 126.62 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.994 0.917 . . . . 61.31 109.431 172.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.6 m -108.26 137.02 46.95 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 61.41 110.136 176.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.62 114.19 24.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.783 -1.192 . . . . 72.24 107.783 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 123.24 0.616 . . . . 74.35 109.773 -173.289 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 121.511 0.672 . . . . 71.3 111.322 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.425 ' HB ' HG23 ' A' ' 31' ' ' VAL . 46.2 mt -101.94 102.97 14.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.092 -1.077 . . . . 74.44 108.092 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -87.69 119.43 28.0 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.048 -0.723 . . . . 75.12 109.048 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.49 123.68 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.122 0.969 . . . . 54.21 109.479 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -127.38 120.97 29.7 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.242 -1.022 . . . . 71.12 108.242 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.6 t-20 -103.58 123.5 47.07 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.652 -0.87 . . . . 73.51 108.652 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.633 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -117.86 109.66 16.82 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 108.653 -0.869 . . . . 73.52 108.653 173.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 105.485 -2.042 . . . . 75.24 105.485 171.015 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.4 m-85 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.514 0.673 . . . . 71.13 111.468 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -102.43 129.59 48.96 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.857 -1.065 . . . . 44.13 110.273 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -128.24 147.13 50.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.472 1.109 . . . . 72.22 108.465 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.1 m -129.75 104.62 7.52 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.65 -1.241 . . . . 73.02 107.65 172.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 12' ' ' ILE . 35.9 m -113.64 128.92 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.645 0.778 . . . . 73.43 109.493 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -93.89 -12.14 29.53 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.208 0.603 . . . . 60.34 110.484 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.716 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 90.5 m -128.0 138.68 52.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.782 0.833 . . . . 75.21 109.429 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 44.7 mt-10 -65.62 -29.94 70.58 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.203 1.001 . . . . 70.53 111.755 -176.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 m -60.08 -40.13 88.5 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.32 0.648 . . . . 63.53 110.98 175.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.716 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 3.7 mm-40 -68.91 -33.32 73.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.348 0.659 . . . . 75.43 110.063 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 40' ' ' VAL . 51.5 tp -63.05 -40.01 96.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.721 0.808 . . . . 64.5 110.948 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.22 -36.42 84.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.497 0.719 . . . . 61.14 110.876 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -65.73 -53.06 45.88 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.607 0.763 . . . . 74.24 110.582 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 37' ' ' LEU . 21.2 m -67.51 -27.15 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 123.818 0.698 . . . . 62.14 111.758 -172.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.4 mm? -74.78 -36.77 62.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.512 0.725 . . . . 53.43 111.317 176.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -70.1 -38.44 75.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.076 0.55 . . . . 71.02 110.735 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.49 -36.61 44.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.917 0.487 . . . . 75.44 110.632 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 16' ' ' ASN . 42.7 tp -59.91 -36.34 76.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.874 0.87 . . . . 70.34 110.868 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.5 ttpt -45.05 -49.81 11.26 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.808 1.643 . . . . 71.21 111.815 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.29 -38.42 89.3 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.951 0.782 . . . . 73.11 111.543 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.91 -39.66 55.82 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.999 0.92 . . . . 73.01 112.033 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.47 -41.79 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.519 0.676 . . . . 73.35 109.238 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HB2' HD22 ' A' ' 82' ' ' LEU . 70.6 tttt -67.82 -39.7 83.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.209 -1.36 . . . . 73.44 110.714 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 N--CA 1.474 0.745 0 CA-C-N 115.005 -0.998 . . . . 72.21 111.199 -174.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' HD3' ' H ' ' A' ' 56' ' ' SER . 5.7 tpp180 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 109.109 -0.7 . . . . 70.52 109.109 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 99' ' ' GLU . 24.6 p -114.91 118.9 34.79 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.679 1.192 . . . . 61.43 108.868 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.633 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 30.8 ttm180 -150.3 110.31 4.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.593 -0.521 . . . . 74.42 109.593 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 97' ' ' THR . 96.0 m -135.15 121.37 20.18 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 109.193 -0.669 . . . . 71.31 109.193 173.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m -95.21 120.89 36.21 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.868 1.355 . . . . 64.25 109.172 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.39 126.15 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 123.544 0.737 . . . . 73.01 109.136 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 53.0 m -67.82 114.68 6.6 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 120.897 0.379 . . . . 34.24 110.436 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.16 107.63 18.34 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.268 1.027 . . . . 61.21 108.347 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.21 -27.14 68.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.972 0.509 . . . . 75.34 111.062 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -132.55 163.48 28.75 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.205 1.002 . . . . 32.02 109.376 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.1 ptpp? -67.3 -21.18 65.69 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.671 0.388 . . . . 73.21 110.958 174.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HD2' ' HG3' ' A' ' 65' ' ' LYS . 4.2 mptp? -65.89 -39.93 91.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.106 0.962 . . . . 74.31 109.785 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.8 mt-10 -68.97 -37.36 78.74 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.51 -1.223 . . . . 62.11 110.874 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.07 71.07 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.788 0.68 . . . . 74.15 111.997 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 35.2 mm-40 -79.36 -49.84 11.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.947 0.499 . . . . 64.22 111.973 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -69.23 -29.1 66.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.449 -0.341 . . . . 73.21 110.861 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.1 m-30 -88.92 -19.38 25.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.943 0.497 . . . . 71.34 111.791 177.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.47 -45.97 91.78 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.037 -1.097 . . . . 63.51 108.037 167.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -57.44 -44.0 84.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 124.279 0.987 . . . . 71.21 111.2 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.46 -52.18 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.347 0.659 . . . . 55.31 110.781 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.9 -49.93 75.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.929 0.891 . . . . 72.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.499 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -54.78 -41.26 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.85 0.86 . . . . 64.12 110.854 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.5 mtpt -68.4 -42.23 79.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.455 0.702 . . . . 64.04 111.895 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 41' ' ' LEU . 72.5 t -65.75 -45.93 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.281 0.632 . . . . 75.34 110.651 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CD1' HD12 ' A' ' 82' ' ' LEU . 55.2 m-85 -73.39 -18.23 61.18 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.733 -0.667 . . . . 71.35 112.138 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.25 77.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.077 0.551 . . . . 64.35 110.756 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -78.48 -19.03 53.95 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.495 0.718 . . . . 64.12 111.142 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 49' ' ' LYS . 76.8 mt -91.31 -23.09 20.23 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.756 0.822 . . . . 73.11 111.414 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.65 0 O-C-N 123.305 0.378 . . . . 61.13 112.314 177.589 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.499 ' HB ' HG13 ' A' ' 76' ' ' ILE . 11.9 mm . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 110.495 -0.187 . . . . 73.33 110.495 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.412 ' O ' HG13 ' A' ' 98' ' ' VAL . 46.4 t30 -89.15 145.34 25.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.931 0.492 . . . . 75.22 109.683 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.2 p -132.6 121.88 46.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.631 0.772 . . . . 62.33 109.014 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -130.44 132.44 45.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.966 0.906 . . . . 51.04 109.351 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -101.21 113.11 25.85 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.188 -1.041 . . . . 61.52 108.188 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.48 -36.76 60.56 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.885 0.874 . . . . 60.43 110.749 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.28 101.98 2.37 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 108.838 -1.705 . . . . 74.44 108.838 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 72.45 2.67 4.43 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.574 1.55 . . . . 63.55 112.171 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -145.36 148.93 33.92 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.414 1.086 . . . . 72.2 108.225 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.9 109.24 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 108.663 -0.866 . . . . 63.11 108.663 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' THR . 96.9 m -100.77 126.09 47.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.341 0.656 . . . . 73.31 110.255 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 57' ' ' ARG . 14.3 t -92.17 121.08 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 107.143 -1.429 . . . . 74.22 107.143 165.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 56' ' ' SER . 3.6 tm-20 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.224 -0.658 . . . . 65.13 109.224 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.907 0.706 . . . . 72.25 112.907 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.4 mt -95.72 105.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.279 -0.873 . . . . 73.4 109.218 -175.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -86.34 137.93 32.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.418 -0.586 . . . . 73.34 109.418 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 28' ' ' THR . 63.5 t -118.35 107.23 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.684 -1.228 . . . . 74.23 107.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.485 ' HG2' HG23 ' A' ' 28' ' ' THR . 45.0 mt-30 -106.36 107.32 18.27 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.914 -0.402 . . . . 75.32 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.5 t-20 -105.4 139.28 40.26 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.458 -0.571 . . . . 63.31 109.458 173.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -114.85 108.76 17.17 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.071 -1.455 . . . . 72.51 107.071 172.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.1 t30 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.876 -0.786 . . . . 75.54 108.876 179.058 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.479 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 121.02 0.438 . . . . 74.42 110.432 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 15' ' ' GLN . 87.7 m -93.05 118.75 31.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.948 0.899 . . . . 72.33 109.449 170.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.2 130.12 38.67 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.159 0.984 . . . . 73.44 108.738 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.8 m -97.43 109.56 22.29 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.87 -0.789 . . . . 52.4 108.87 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 30.8 m -101.01 133.99 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.793 0.837 . . . . 74.44 109.468 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.8 t -88.35 -14.0 39.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.438 0.532 . . . . 75.12 112.438 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.6 m -142.63 155.76 44.99 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.47 0.708 . . . . 72.24 109.792 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.3 -30.57 71.68 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.69 1.196 . . . . 50.31 112.047 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 p -59.6 -49.53 77.4 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.781 0.675 . . . . 74.35 109.524 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.2 mm-40 -58.51 -32.94 69.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.324 1.05 . . . . 64.32 111.497 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HA ' HG12 ' A' ' 40' ' ' VAL . 5.9 tt -74.49 -40.99 61.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.015 0.526 . . . . 74.21 110.929 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -58.19 -42.23 85.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.343 0.657 . . . . 74.41 110.374 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.95 -52.97 57.26 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.019 -0.991 . . . . 74.14 110.856 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 37' ' ' LEU . 4.8 p -68.73 -30.52 47.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 123.435 0.459 . . . . 61.42 111.686 -172.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 78' ' ' VAL . 1.6 mm? -73.28 -39.72 65.15 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.039 0.535 . . . . 72.25 111.37 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.63 -35.57 80.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.563 -0.744 . . . . 71.24 110.966 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.54 -39.61 18.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.469 0.308 . . . . 73.01 111.789 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.2 -29.43 70.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.409 0.684 . . . . 72.1 110.349 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' HD21 ' A' ' 82' ' ' LEU . 39.3 ttpt -43.28 -45.58 5.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.67 1.588 . . . . 63.05 111.727 170.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.92 -45.3 64.48 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.619 -1.173 . . . . 70.44 111.574 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.83 -39.89 93.4 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.568 0.747 . . . . 75.21 111.542 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -66.09 -48.63 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.915 0.886 . . . . 75.45 110.145 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.633 ' HB2' HD22 ' A' ' 82' ' ' LEU . 58.9 tttp -75.26 -22.51 57.76 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.35 0.5 . . . . 61.3 112.35 -177.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.98 0.895 . . . . 61.55 109.805 175.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.925 -0.398 . . . . 73.2 109.925 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.9 m -100.98 149.13 24.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.593 0.757 . . . . 54.13 111.474 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -105.39 150.21 25.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.392 1.077 . . . . 75.02 109.725 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.3 m -140.18 131.42 26.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.883 0.473 . . . . 74.51 110.042 165.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 t -117.25 119.89 36.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.785 -1.191 . . . . 53.15 107.785 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.469 HD13 HD11 ' A' ' 37' ' ' LEU . 41.8 mt -111.68 140.68 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.737 0.815 . . . . 65.24 109.713 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -58.06 105.89 0.32 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.829 1.251 . . . . 60.13 112.225 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.67 100.93 12.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.174 0.99 . . . . 61.3 110.016 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.547 ' HB2' ' HG3' ' A' ' 67' ' ' GLU . 39.5 mmt180 -70.45 -36.78 74.14 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.428 -0.806 . . . . 63.24 110.535 177.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.5 p -135.3 176.92 8.23 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.625 1.17 . . . . 61.43 109.085 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.475 0.484 . . . . 65.22 110.202 169.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.89 -45.19 95.58 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.808 0.843 . . . . 62.43 111.022 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 28.8 mm-40 -62.34 -43.17 99.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.369 0.604 . . . . 74.54 110.337 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -60.27 -48.96 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.918 -1.492 . . . . 71.32 112.188 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.47 -31.24 33.07 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.019 0.527 . . . . 62.54 111.933 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 58.9 pttt -73.18 -36.07 66.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.655 0.264 . . . . 72.14 110.354 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' A' ' 74' ' ' ILE . 19.3 m-30 -88.99 -18.34 27.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.99 0.516 . . . . 74.53 111.783 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.464 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -62.88 -40.98 99.16 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 108.66 -0.867 . . . . 71.55 108.66 166.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.93 88.09 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.636 -0.711 . . . . 41.15 111.205 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' A' ' 71' ' ' PHE . 58.0 mt -62.87 -62.83 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.267 0.627 . . . . 73.11 110.018 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 41' ' ' LEU . 97.8 mt -53.57 -40.4 65.57 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.581 1.152 . . . . 72.2 113.131 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.763 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -62.04 -48.15 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.168 0.587 . . . . 73.34 110.413 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -71.04 -35.48 71.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.263 0.625 . . . . 72.03 112.146 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG21 HD12 ' A' ' 41' ' ' LEU . 76.7 t -63.92 -49.84 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.661 0.784 . . . . 74.23 109.885 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -82.79 -17.95 42.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.213 -0.903 . . . . 64.44 111.952 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.16 80.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.609 0.764 . . . . 74.11 110.631 172.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.08 -33.09 65.41 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.82 -1.082 . . . . 64.44 110.37 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.633 HD22 ' HB2' ' A' ' 49' ' ' LYS . 31.5 mt -73.59 -26.81 60.98 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.895 -0.593 . . . . 71.21 112.122 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.642 0 N-CA-C 111.313 -0.715 . . . . 54.14 111.313 -178.338 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.941 -0.392 . . . . 64.22 109.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -85.97 112.28 21.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.117 0.567 . . . . 73.22 109.644 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.763 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.3 p -107.53 130.46 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.317 0.647 . . . . 75.44 110.074 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -133.83 141.53 47.46 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.001 -1.111 . . . . 72.14 108.001 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.57 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 24.4 m-90 -114.87 114.08 25.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.362 -0.977 . . . . 74.33 108.362 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.93 -53.99 26.51 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.928 0.891 . . . . 74.41 110.47 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.34 -54.66 0.67 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.71 -1.356 . . . . 42.3 109.71 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.21 -16.57 34.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.35 0.66 . . . . 74.41 110.402 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 p -145.06 151.87 39.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.924 0.89 . . . . 70.45 111.518 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.7 p -97.66 113.77 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 N-CA-C 108.971 -0.752 . . . . 55.51 108.971 165.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 m -103.77 104.68 14.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.771 0.828 . . . . 74.22 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 72.7 t -112.18 125.63 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.697 0.799 . . . . 64.0 109.224 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.244 0.78 0 C-N-CA 124.558 1.143 . . . . 74.44 108.477 -178.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.868 -0.419 . . . . 75.12 109.868 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -83.72 95.61 8.46 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.563 -0.532 . . . . 74.14 109.563 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -76.36 130.16 37.66 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 109.305 -0.628 . . . . 73.2 109.305 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -160.99 159.62 29.67 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.487 1.115 . . . . 73.0 108.35 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -112.67 106.28 14.64 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.27 0.628 . . . . 73.41 109.366 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -127.52 130.83 49.85 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 124.258 1.023 . . . . 75.52 108.315 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.96 82.72 0.66 Allowed 'General case' 0 CA--C 1.551 1.002 0 O-C-N 123.745 0.653 . . . . 74.2 109.961 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' H ' ' H ' ' A' ' 9' ' ' SER . 26.6 tpt180 -176.51 -19.18 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.103 1.361 . . . . 54.33 109.424 -173.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.411 ' H ' ' H ' ' A' ' 8' ' ' ARG . 48.3 m -77.79 -147.14 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.023 0.929 . . . . 65.44 110.218 177.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.96 60.2 4.68 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 118.082 0.401 . . . . 74.24 112.602 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 121.01 19.69 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.853 -0.795 . . . . 71.03 108.853 176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -102.33 103.93 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.076 0.951 . . . . 64.22 108.854 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.5 HE21 ' NE2' ' A' ' 15' ' ' GLN . 53.6 tt0 -89.46 106.04 18.19 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.49 0.716 . . . . 73.01 109.603 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.8 t -92.69 122.28 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.36 1.064 . . . . 74.01 108.46 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.5 ' NE2' HE21 ' A' ' 13' ' ' GLN . 93.1 mt-30 -128.04 122.09 31.32 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.321 0.649 . . . . 65.03 110.092 177.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.562 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 26.8 t-20 -114.25 129.35 56.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.629 0.772 . . . . 73.13 109.254 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -121.6 126.92 50.24 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.457 -1.312 . . . . 52.43 107.457 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -101.88 139.59 37.31 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.226 0.61 . . . . 61.12 111.095 -168.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.408 ' O ' ' HA2' ' A' ' 52' ' ' GLY . 6.3 m -96.73 126.5 41.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.092 -1.447 . . . . 63.42 107.092 170.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m 72.96 44.45 0.35 Allowed 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.997 1.319 . . . . 63.23 109.213 -160.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.52 112.3 12.9 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.106 -0.952 . . . . 74.11 110.843 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.64 -112.3 1.02 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.451 -0.66 . . . . 51.44 111.451 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.75 73.41 7.73 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.657 0.741 . . . . 52.44 109.308 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.2 p -103.98 97.4 7.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.756 -1.111 . . . . 51.03 109.519 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -68.71 -50.01 54.28 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.271 0.628 . . . . 73.13 110.793 -171.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -162.26 -48.66 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.216 0.322 . . . . 74.12 111.681 -174.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 1.4 m-85 56.65 33.85 23.51 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 124.793 1.237 . . . . 72.42 111.555 -177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.8 m -121.75 119.26 31.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.006 0.922 . . . . 64.53 109.64 -175.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -138.3 125.88 22.1 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.907 0.883 . . . . 74.54 109.663 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 m -107.82 111.3 23.38 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.566 0.746 . . . . 74.42 109.518 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -116.13 129.67 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.733 0.813 . . . . 71.15 110.669 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.4 t -88.84 -7.37 56.29 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.017 0.527 . . . . 72.21 110.548 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 35' ' ' SER . 30.7 m -140.81 137.56 33.41 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.321 0.648 . . . . 75.53 109.723 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.16 -16.02 63.03 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.054 0.761 . . . . 73.03 113.054 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.511 ' H ' HG22 ' A' ' 33' ' ' THR . 24.3 m -58.25 -41.57 84.52 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 122.891 0.476 . . . . 74.24 110.464 172.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 16.2 mm-40 -75.74 -34.95 60.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.064 0.946 . . . . 73.34 111.129 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.77 -35.01 42.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.382 1.073 . . . . 63.33 112.068 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -57.01 -47.02 81.87 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.4 0.68 . . . . 71.44 111.294 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -67.87 -33.57 75.0 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.887 -0.597 . . . . 64.51 111.502 179.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.66 -55.34 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 123.778 0.674 . . . . 44.05 109.64 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.566 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -70.39 -27.72 64.53 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.99 0.806 . . . . 75.15 112.737 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.48 -54.8 41.12 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.641 0.376 . . . . 71.42 110.459 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.58 -35.77 60.52 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.482 0.488 . . . . 64.1 110.999 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' HD11 ' A' ' 48' ' ' ILE . 30.0 tp -64.27 -49.25 72.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.653 0.781 . . . . 71.31 110.496 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.1 ttpt -52.37 -47.33 66.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.618 1.167 . . . . 64.43 111.779 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -55.32 -43.21 74.69 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.291 -1.322 . . . . 63.33 111.065 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -72.51 -49.8 30.33 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 123.558 0.743 . . . . 54.13 110.935 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.418 HD11 ' HG ' ' A' ' 44' ' ' LEU . 87.4 mt -53.2 -32.27 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 124.169 0.987 . . . . 61.14 111.53 -176.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' HD22 ' A' ' 82' ' ' LEU . 84.1 tttt -60.81 -41.88 96.55 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 115.477 -0.783 . . . . 70.3 111.807 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -82.21 -48.93 10.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.026 0.531 . . . . 65.45 111.494 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -90.66 78.26 6.24 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.54 -0.911 . . . . 74.24 108.54 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 19' ' ' THR . . . 161.8 104.0 0.19 Allowed Glycine 0 C--N 1.344 0.997 0 CA-C-N 114.688 -1.142 . . . . 71.01 110.689 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.67 -42.42 86.62 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 121.089 0.471 . . . . 61.2 110.643 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HE2' ' HA ' ' A' ' 54' ' ' LYS . 8.5 mmpt? -129.44 -44.09 1.25 Allowed 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.236 -0.893 . . . . 75.12 109.767 176.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.17 165.15 36.55 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 121.512 0.672 . . . . 74.23 112.713 -171.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -137.87 154.31 49.49 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.001 1.32 . . . . 75.31 108.513 168.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -93.67 150.06 20.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.564 0.746 . . . . 61.24 110.276 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.1 m -139.69 147.26 40.7 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.007 -1.109 . . . . 52.03 108.007 174.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -145.0 123.52 12.42 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.152 -1.055 . . . . 74.54 108.152 170.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.535 HG21 ' CD2' ' A' ' 71' ' ' PHE . 33.7 mt -115.01 133.0 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.606 1.162 . . . . 75.5 109.387 -174.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.6 m -72.58 104.06 3.75 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 123.51 0.506 . . . . 65.31 110.443 177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.4 130.44 42.19 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.356 -0.979 . . . . 61.34 108.356 171.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -83.12 -25.27 32.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.163 0.506 . . . . 72.14 110.179 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 p -133.38 151.12 51.81 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 124.041 0.937 . . . . 72.14 108.625 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -67.41 -18.24 65.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.075 0.55 . . . . 71.33 111.332 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.68 -39.15 93.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.757 0.823 . . . . 73.4 109.93 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 48.3 mt-10 -72.25 -39.63 68.29 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.259 -0.882 . . . . 75.44 110.367 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.26 -34.3 60.49 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.302 0.641 . . . . 72.04 111.653 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 52.0 mt-10 -65.95 -48.31 71.76 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.751 0.82 . . . . 74.44 112.29 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 22.0 pttp -77.69 -30.16 51.75 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.261 -0.4 . . . . 72.43 111.66 -174.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.535 ' CD2' HG21 ' A' ' 60' ' ' ILE . 24.6 m-85 -72.51 -30.66 64.69 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-N 117.935 0.334 . . . . 74.25 110.142 171.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -64.48 -43.28 94.67 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 109.857 -0.423 . . . . 54.4 109.857 171.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.28 70.58 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 72.53 111.282 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.78 -48.04 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 C-N-CA 124.173 0.989 . . . . 61.04 111.074 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.06 -41.71 77.23 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.214 0.606 . . . . 61.32 111.535 -176.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.66 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.7 mp -57.7 -43.05 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.802 0.841 . . . . 71.11 109.225 173.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.9 -45.47 92.38 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 123.874 0.734 . . . . 51.2 111.123 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.566 HG21 HD12 ' A' ' 41' ' ' LEU . 8.6 t -60.5 -51.13 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.787 1.235 . . . . 64.01 111.583 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -73.01 -20.57 60.98 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.234 -0.439 . . . . 64.34 111.469 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 84' ' ' TYR . . . -73.01 -29.52 63.08 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.131 0.573 . . . . 60.13 111.085 176.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.89 -29.15 61.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.591 0.757 . . . . 45.51 110.237 173.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 49' ' ' LYS . 81.5 mt -78.53 -27.06 45.91 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.994 -0.548 . . . . 72.41 111.82 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.9 -104.73 0.19 Allowed Glycine 0 C--N 1.349 1.272 0 C-N-CA 121.357 -0.449 . . . . 73.33 112.832 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 7.0 m-85 -65.3 132.94 50.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.743 0.817 . . . . 64.51 110.896 -176.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -74.54 -36.19 63.12 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.43 0.456 . . . . 74.14 110.121 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -71.57 119.58 15.92 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.955 -1.021 . . . . 75.23 108.624 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.66 ' HB ' HG13 ' A' ' 76' ' ' ILE . 49.0 mm -129.91 150.29 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 123.912 0.885 . . . . 71.35 109.155 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -86.37 125.32 33.57 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.618 0.767 . . . . 73.44 109.341 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.609 ' HB ' HD11 ' A' ' 76' ' ' ILE . 3.4 p -135.4 144.05 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.382 1.073 . . . . 64.12 109.859 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 t -135.78 121.06 19.08 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.346 0.659 . . . . 64.51 109.336 171.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.419 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 14.1 m-90 -89.26 101.32 13.98 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.578 -0.737 . . . . 71.31 109.946 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.25 -63.76 1.21 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 108.607 -0.886 . . . . 74.32 108.607 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.34 -56.89 0.57 Allowed Glycine 0 C--N 1.346 1.133 0 N-CA-C 110.768 -0.933 . . . . 22.34 110.768 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -72.73 -26.1 61.45 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.194 0.597 . . . . 63.23 109.964 170.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 p -139.41 151.65 46.46 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.953 0.901 . . . . 73.34 110.939 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.6 p -117.34 109.65 28.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 N-CA-C 108.398 -0.964 . . . . 73.1 108.398 165.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 77.1 m -96.45 114.36 26.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.317 0.647 . . . . 62.21 109.74 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.04 127.67 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.388 1.075 . . . . 54.2 109.547 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -131.63 143.6 50.43 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 107.85 -1.167 . . . . 74.23 107.85 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.509 ' HA2' HG23 ' A' ' 87' ' ' ILE . . . -62.18 154.96 40.06 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-O 120.121 -0.266 . . . . 75.14 112.83 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -74.29 136.03 42.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.09 0.556 . . . . 62.44 110.682 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.49 143.18 46.7 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.015 -0.993 . . . . 73.31 108.412 169.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.78 95.97 0.54 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.107 0.48 . . . . 73.41 110.536 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.68 89.34 0.14 Allowed Glycine 0 C--N 1.338 0.68 0 N-CA-C 110.382 -1.087 . . . . 43.12 110.382 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.96 142.42 21.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.647 0.779 . . . . 75.15 109.774 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.142 0.977 . . . . 65.01 108.567 178.733 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.619 0.247 . . . . 62.42 111.105 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.5 m80 61.22 69.99 0.63 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.053 1.341 . . . . 74.44 111.287 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -141.51 144.34 34.29 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.454 -0.794 . . . . 71.04 109.953 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -146.93 90.83 1.94 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.59 -1.263 . . . . 64.1 107.59 173.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -64.32 -59.9 3.83 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.831 0.852 . . . . 71.34 110.276 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -165.86 165.41 18.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.69 1.196 . . . . 73.45 109.663 176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -142.38 81.47 1.74 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 108.906 -0.775 . . . . 74.44 108.906 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -93.49 103.11 15.33 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.551 -0.75 . . . . 43.34 108.986 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -142.6 -161.8 1.31 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.217 1.007 . . . . 75.3 108.428 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.63 54.78 4.99 Favored Glycine 0 C--N 1.352 1.42 0 N-CA-C 111.644 -0.582 . . . . 44.34 111.644 172.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -68.5 129.77 40.9 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 123.619 0.768 . . . . 73.13 111.364 -171.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 71.0 mt -74.3 101.99 1.93 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.89 -1.152 . . . . 64.35 107.89 171.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' ILE . 59.8 tp60 -86.47 110.15 19.55 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.54 -0.754 . . . . 35.12 109.007 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 t -94.17 109.36 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 124.389 1.076 . . . . 63.31 108.337 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 58' ' ' THR . 34.8 tt0 -119.53 104.22 10.11 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.182 0.593 . . . . 74.31 109.62 -177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 27' ' ' TYR . 11.4 m120 -107.41 113.39 26.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.23 1.012 . . . . 70.04 108.917 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -115.69 124.84 51.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.631 0.773 . . . . 74.44 110.778 -173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -116.54 112.84 21.92 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.614 -1.254 . . . . 64.11 107.614 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.474 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 29.6 m -100.28 108.26 20.28 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.253 -0.647 . . . . 74.33 109.253 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 19' ' ' THR . 50.8 m -173.45 70.35 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.38 1.872 . . . . 50.5 106.593 175.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 73.61 -66.85 0.29 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.736 1.614 . . . . 71.3 111.798 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.55 98.04 0.31 Allowed Glycine 0 N--CA 1.475 1.237 0 N-CA-C 110.594 -1.002 . . . . 73.44 110.594 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.697 ' HG2' ' HB2' ' A' ' 51' ' ' GLN . 0.6 OUTLIER -75.0 -41.92 58.56 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 117.069 0.434 . . . . 70.42 111.726 -171.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -151.15 -67.83 0.18 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.426 0.691 . . . . 71.31 109.811 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -166.18 138.34 3.84 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 107.929 -1.137 . . . . 73.22 107.929 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -69.3 118.55 12.33 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 108.374 -0.973 . . . . 73.0 108.374 173.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 16' ' ' ASN . 91.2 m-85 -63.4 117.68 7.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.915 0.886 . . . . 62.52 111.198 -171.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -138.38 127.05 23.53 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.377 -0.601 . . . . 65.23 109.377 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -134.5 155.43 50.38 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.929 0.891 . . . . 72.34 109.425 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m -129.17 105.97 8.52 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.823 -0.806 . . . . 72.31 108.823 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.9 m -117.57 135.51 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.853 0.861 . . . . 73.31 108.754 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.5 t -83.76 -25.23 30.67 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 122.069 -0.394 . . . . 70.32 110.163 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 35' ' ' SER . 14.4 m -118.06 147.42 43.27 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.531 0.732 . . . . 50.14 110.674 -174.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.63 -31.97 73.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.282 1.033 . . . . 74.54 110.942 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 33' ' ' THR . 35.3 m -55.4 -45.87 76.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.639 1.176 . . . . 54.34 112.136 177.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -60.46 -43.86 96.48 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.976 0.911 . . . . 64.33 110.303 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -64.11 -35.42 80.69 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.112 -0.949 . . . . 70.32 112.18 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -62.6 -27.36 69.14 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.664 0.386 . . . . 74.25 111.369 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -54.16 7.06 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.22 -0.659 . . . . 74.32 109.22 169.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.63 -59.36 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.173 0 C-N-CA 124.541 1.136 . . . . 72.12 111.907 -173.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.45 -35.46 80.99 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.386 0.884 . . . . 73.44 113.386 -173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -72.53 -35.11 68.0 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.165 0.186 . . . . 75.22 110.879 -174.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.74 -31.19 26.13 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 110.294 -0.261 . . . . 75.32 110.294 175.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 47' ' ' TYR . 40.0 tp -66.97 -27.63 67.61 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.569 1.148 . . . . 72.34 110.888 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HB2' HG13 ' A' ' 78' ' ' VAL . 32.4 ttpt -46.48 -46.6 19.13 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.211 1.405 . . . . 62.33 111.121 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -76.33 -31.54 58.2 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 114.735 -1.12 . . . . 65.31 111.445 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' HB2' HD12 ' A' ' 44' ' ' LEU . 15.7 m-85 -65.85 -42.74 90.08 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 123.359 0.663 . . . . 65.13 111.261 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.5 -33.14 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.839 0.856 . . . . 63.32 109.733 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -67.76 -34.44 76.81 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.775 0.83 . . . . 64.33 110.695 174.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -73.31 -46.82 47.3 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.191 -0.913 . . . . 71.22 110.359 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.697 ' HB2' ' HG2' ' A' ' 23' ' ' LYS . 3.8 pt20 -157.47 137.79 12.78 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.602 -0.726 . . . . 63.34 110.877 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.38 -129.0 2.01 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 109.687 -1.365 . . . . 74.42 109.687 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . 36.2 t -154.38 169.6 23.34 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.612 0.706 . . . . 62.43 110.112 169.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -60.75 -34.58 74.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.479 1.112 . . . . 72.23 111.337 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.531 HH12 ' HB2' ' A' ' 57' ' ' ARG . 1.9 tmm_? -97.43 117.39 31.56 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 107.541 -1.281 . . . . 71.51 107.541 178.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -140.77 131.72 26.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.617 0.767 . . . . 62.01 111.236 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.531 ' HB2' HH12 ' A' ' 55' ' ' ARG . 70.3 ttp85 -113.98 151.13 32.81 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.555 1.142 . . . . 65.3 109.587 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 18.5 m -140.79 109.2 5.86 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 122.871 0.468 . . . . 74.43 110.625 171.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.2 m -97.92 121.2 39.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.428 0.691 . . . . 74.54 109.228 172.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.497 HG21 ' CD2' ' A' ' 71' ' ' PHE . 53.8 mt -122.99 128.42 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.902 0.881 . . . . 60.23 110.168 -177.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.469 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 27.7 m -69.62 122.89 20.0 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.314 0.384 . . . . 72.14 110.591 175.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.54 138.61 52.41 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.177 0.991 . . . . 72.22 108.35 172.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 -24.81 22.09 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.852 -0.425 . . . . 75.0 109.852 -175.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.0 p -135.17 162.73 31.69 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 124.411 1.084 . . . . 74.14 110.002 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -72.19 -27.29 62.47 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.502 0.556 . . . . 64.43 112.502 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -67.05 -29.52 69.34 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.687 0.221 . . . . 64.23 110.677 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 65.7 mt-10 -73.47 -48.24 35.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 109.601 -0.518 . . . . 72.35 109.601 171.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.73 62.52 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.2 0.6 . . . . 73.42 112.23 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.25 -27.29 47.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.88 0.472 . . . . 74.11 111.709 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -77.06 -42.54 37.96 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 119.117 -0.468 . . . . 61.44 110.287 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD2' HG21 ' A' ' 60' ' ' ILE . 37.2 m-85 -66.16 -29.6 69.92 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 122.89 0.476 . . . . 75.13 110.229 174.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.85 -55.39 35.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.691 0.62 . . . . 64.5 109.764 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.15 -38.96 77.62 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 124.102 0.876 . . . . 61.41 111.534 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 78' ' ' VAL . 95.3 mt -61.08 -51.78 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 124.045 0.938 . . . . 63.42 110.244 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.439 HD13 ' HB ' ' A' ' 98' ' ' VAL . 82.9 mt -63.31 -36.33 83.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.256 1.023 . . . . 73.11 113.011 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -44.02 92.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 109.034 -0.728 . . . . 70.44 109.034 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -69.2 -39.46 78.62 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.69 0.796 . . . . 72.43 111.868 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 45' ' ' LYS . 69.2 t -60.73 -50.55 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 123.776 0.83 . . . . 75.04 110.499 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -85.52 -16.55 39.12 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.523 -0.762 . . . . 61.42 112.572 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.46 85.01 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.494 0.317 . . . . 74.24 110.451 170.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.67 -21.2 65.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.989 -0.55 . . . . 74.31 111.258 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.36 -27.25 27.83 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.208 0.603 . . . . 60.11 110.311 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 162.5 129.82 1.06 Allowed Glycine 0 C--N 1.345 1.03 0 CA-C-O 119.83 -0.428 . . . . 62.42 112.376 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -81.36 80.93 7.66 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.964 -0.754 . . . . 63.34 108.964 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -99.88 -73.31 0.64 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 107.799 -1.185 . . . . 74.23 107.799 176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -178.19 124.52 0.11 Allowed 'General case' 0 C--N 1.349 0.558 0 N-CA-C 106.965 -1.494 . . . . 64.43 106.965 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 mm -107.85 119.31 57.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 N-CA-C 109.225 -0.657 . . . . 72.24 109.225 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 101' ' ' GLN . 0.9 OUTLIER -88.47 150.09 23.31 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.088 0.955 . . . . 74.32 109.745 176.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.56 146.21 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.475 0.71 . . . . 73.11 110.224 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 m -142.89 108.01 4.96 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.929 0.891 . . . . 75.24 108.971 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -88.52 100.13 12.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 108.231 -1.026 . . . . 74.02 108.231 174.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -138.74 128.89 25.51 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.258 1.023 . . . . 73.51 110.049 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 37.94 95.74 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 123.919 0.762 . . . . 74.42 113.322 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 60.3 19.54 9.04 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.788 1.235 . . . . 73.54 111.727 -175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.8 m -119.56 129.89 54.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.941 0.896 . . . . 74.25 109.028 -177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 71' ' ' PHE . 2.6 p -92.25 108.37 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 121.666 0.746 . . . . 53.15 109.469 175.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 67.8 m -102.41 100.45 10.59 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.396 1.078 . . . . 71.13 108.86 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.439 ' HB ' HD13 ' A' ' 75' ' ' LEU . 11.8 t -93.45 125.01 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 123.756 0.822 . . . . 65.41 109.071 176.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -113.64 136.11 53.18 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.4 0.68 . . . . 72.25 109.631 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.82 105.12 2.72 Favored Glycine 0 C--O 1.24 0.519 0 N-CA-C 110.217 -1.153 . . . . 62.43 110.217 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.443 ' HB2' ' ND2' ' A' ' 88' ' ' ASN . 30.4 tt0 -73.92 130.19 39.39 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 117.224 0.512 . . . . 61.21 110.484 -175.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -67.1 101.94 0.95 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.423 -0.808 . . . . 75.35 108.957 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -135.07 126.96 29.44 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 106.744 -1.576 . . . . 61.43 106.744 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -157.25 111.94 0.5 Allowed Glycine 0 C--N 1.336 0.566 0 O-C-N 123.746 0.654 . . . . 32.13 112.285 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -72.54 98.34 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.257 0 C-N-CA 123.549 0.74 . . . . 60.32 109.436 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 CA--C 1.555 1.161 0 CA-C-N 115.789 -0.641 . . . . 63.43 109.409 -172.505 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.639 -0.504 . . . . 55.35 109.639 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -143.97 132.54 22.28 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.699 0.8 . . . . 74.14 109.242 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -75.73 87.37 2.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.781 0.8 . . . . 63.23 110.594 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -153.85 144.84 22.75 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 107.125 -1.435 . . . . 63.13 107.125 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -63.78 95.96 0.12 Allowed 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.224 0.535 . . . . 75.41 110.923 -176.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.04 149.71 44.65 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 114.641 -1.163 . . . . 72.42 111.066 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -138.08 113.37 9.39 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 107.546 -1.279 . . . . 73.11 107.546 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -62.84 -45.97 90.09 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.692 0.797 . . . . 63.51 111.184 -173.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 m -81.74 -10.33 59.39 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.66 0.784 . . . . 54.52 111.647 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . 67.68 69.92 1.26 Allowed Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.695 -0.562 . . . . 61.41 111.695 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.34 123.49 16.29 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.009 0.924 . . . . 74.13 111.076 -175.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.526 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 18.2 mt -72.16 104.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 114.65 -1.159 . . . . 73.1 110.612 -170.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -87.24 116.28 25.21 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.948 -0.76 . . . . 74.52 108.948 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -107.79 121.96 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 63.31 108.275 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG2' HG23 ' A' ' 28' ' ' THR . 42.3 mt-30 -131.39 115.49 16.3 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.433 -0.58 . . . . 73.43 109.433 174.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 24.5 t-20 -104.51 112.13 25.07 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 108.775 -0.824 . . . . 75.12 108.775 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -118.14 110.69 17.9 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.878 -1.527 . . . . 71.22 106.878 177.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.707 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 79.2 m-20 -100.64 139.61 36.08 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.198 -0.667 . . . . 51.22 109.198 -173.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 55' ' ' ARG . 61.1 p -92.14 105.46 17.68 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 107.72 -1.215 . . . . 71.31 107.72 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.0 p 162.42 136.96 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.213 1.805 . . . . 75.02 107.997 -168.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.91 77.8 2.81 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.671 -0.863 . . . . 75.15 108.671 172.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.2 -4.45 0.03 OUTLIER Glycine 0 C--N 1.342 0.878 0 CA-C-N 115.355 -0.839 . . . . 73.53 113.727 -174.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -71.7 95.0 1.41 Allowed 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 117.928 0.864 . . . . 64.31 108.897 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.9 m -67.76 -61.35 1.92 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.891 0.876 . . . . 73.23 110.762 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -101.82 139.83 36.93 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 107.463 -1.31 . . . . 74.13 107.463 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.49 107.98 10.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 107.533 -1.284 . . . . 62.24 107.533 170.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 39.0 m-85 -78.7 74.57 5.23 Favored 'General case' 0 CA--C 1.553 1.066 0 O-C-N 124.172 0.92 . . . . 63.42 111.63 -162.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 15' ' ' GLN . 89.3 m -107.31 124.78 50.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.023 0.929 . . . . 70.11 109.474 176.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -139.87 147.36 40.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.656 1.182 . . . . 73.12 108.274 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -128.37 108.12 10.31 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.586 0.63 . . . . 64.21 110.117 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 37' ' ' LEU . 24.9 m -113.24 148.03 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.225 1.01 . . . . 71.34 109.393 178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -89.44 -22.76 22.35 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 118.014 0.37 . . . . 73.3 110.675 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -119.62 150.19 40.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.189 0.596 . . . . 51.32 110.982 -174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HG2' ' HE3' ' A' ' 70' ' ' LYS . 1.3 mp0 -71.01 -32.58 69.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.989 1.316 . . . . 71.31 111.082 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.1 t -57.43 -44.97 85.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.082 0.953 . . . . 71.45 110.833 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -65.82 -35.38 80.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.056 0.942 . . . . 72.25 110.838 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.9 tt -68.29 -28.75 67.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.195 -0.911 . . . . 74.12 111.797 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.82 -28.73 69.76 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.982 0.513 . . . . 71.33 110.744 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -36.42 56.46 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.798 0.839 . . . . 72.1 110.134 174.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -58.82 -47.65 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.728 0.811 . . . . 63.34 110.537 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.485 HD13 HD23 ' A' ' 44' ' ' LEU . 4.2 mm? -73.51 -26.52 60.92 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.386 0.674 . . . . 53.22 112.012 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -66.89 -48.15 69.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.254 0.622 . . . . 74.33 110.183 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.15 -33.22 59.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.155 0.582 . . . . 75.1 110.925 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.485 HD23 HD13 ' A' ' 41' ' ' LEU . 38.2 tp -64.25 -35.36 80.58 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.891 0.877 . . . . 71.5 110.995 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -52.6 -40.91 63.18 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.621 1.169 . . . . 70.23 111.39 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.56 -47.8 58.49 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.151 -0.931 . . . . 71.44 110.637 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -60.73 -30.84 70.23 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.704 0.802 . . . . 75.12 112.621 -174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.658 HG12 HD21 ' A' ' 18' ' ' ASN . 78.4 mt -81.89 -51.09 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 123.321 0.648 . . . . 75.42 110.346 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.4 tttt -66.17 -46.37 77.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.368 0.667 . . . . 70.11 112.402 -172.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.7 -39.29 88.0 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.479 1.112 . . . . 64.4 111.253 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -79.15 -11.8 59.98 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.338 0.655 . . . . 75.12 111.473 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.02 71.18 1.12 Allowed Glycine 0 C--N 1.352 1.447 0 C-N-CA 123.221 0.439 . . . . 73.1 113.3 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.707 ' SG ' ' HB3' ' A' ' 18' ' ' ASN . 10.5 t -104.91 163.76 12.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.066 0.547 . . . . 71.23 111.189 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -98.08 -74.92 0.56 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.527 0.731 . . . . 65.33 109.826 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 102' ' ' LEU . 35.6 ttp180 -99.79 128.06 45.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.936 0.494 . . . . 64.25 110.028 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 114.12 26.87 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.019 0.928 . . . . 73.12 109.241 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' HG23 ' A' ' 97' ' ' THR . 36.5 ttt180 -104.51 112.28 25.28 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.263 -0.643 . . . . 64.01 109.263 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 m -113.54 118.78 35.39 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.766 -0.828 . . . . 74.1 108.766 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.7 t -103.68 118.88 37.74 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.593 -1.262 . . . . 74.32 107.593 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.08 126.48 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.204 1.002 . . . . 74.13 109.708 -171.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.526 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 87.8 m -60.0 114.57 2.9 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 121.363 0.602 . . . . 53.43 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.94 108.78 17.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.013 1.325 . . . . 74.11 108.54 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -60.49 -32.71 71.7 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.437 0.695 . . . . 74.51 110.762 -176.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.0 p -139.39 175.37 9.62 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.109 1.364 . . . . 75.13 108.4 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -75.46 -17.29 60.18 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 110.066 -0.346 . . . . 72.15 110.066 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -71.04 -34.31 71.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.564 0.746 . . . . 63.34 109.495 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 10.3 mm-40 -67.63 -50.77 56.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 108.871 -0.789 . . . . 74.12 108.871 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.8 -32.61 44.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.076 0.951 . . . . 55.34 112.471 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.89 -53.48 55.14 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.049 1.34 . . . . 61.15 111.303 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HE3' ' HG2' ' A' ' 34' ' ' GLU . 61.8 pttt -73.02 -36.73 67.03 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 119.267 -0.397 . . . . 74.0 111.228 -173.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.571 ' HA ' HD12 ' A' ' 74' ' ' ILE . 99.2 m-85 -71.14 -20.85 62.26 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 117.867 0.303 . . . . 74.33 111.349 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.53 76.54 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 109.148 -0.686 . . . . 63.13 109.148 170.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.68 -29.46 70.66 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 118.146 0.43 . . . . 71.33 111.877 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 71' ' ' PHE . 97.8 mt -70.23 -41.93 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.497 1.119 . . . . 71.01 110.876 175.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD13 ' HB ' ' A' ' 98' ' ' VAL . 21.4 mt -79.02 -46.58 17.87 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.567 0.747 . . . . 74.12 112.144 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.52 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -52.81 -34.67 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 C-N-CA 124.561 1.145 . . . . 74.2 110.4 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -35.36 76.91 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.933 0.893 . . . . 61.24 111.23 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 HD12 ' A' ' 41' ' ' LEU . 63.8 t -84.2 -43.15 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.037 0.935 . . . . 72.22 110.654 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -72.86 -21.92 60.86 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.124 0.569 . . . . 73.32 112.09 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.82 -27.54 60.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.338 0.655 . . . . 34.41 111.119 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -82.02 -50.66 8.85 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.997 -0.547 . . . . 75.24 110.788 178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 49' ' ' LYS . 30.3 mt -84.8 -28.23 26.29 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 116.031 -0.532 . . . . 74.54 111.686 -172.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.58 -69.67 0.83 Allowed Glycine 0 C--N 1.339 0.698 0 CA-C-N 115.858 -0.61 . . . . 74.45 112.267 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 t80 51.11 74.89 0.21 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.443 1.097 . . . . 73.21 109.911 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -154.67 -69.13 0.13 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.299 -1.0 . . . . 75.05 108.299 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -171.45 159.11 5.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.541 1.136 . . . . 73.34 108.313 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.52 HG13 HG13 ' A' ' 76' ' ' ILE . 49.9 mm -111.61 140.15 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.112 0.565 . . . . 74.21 109.83 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -116.35 107.91 15.41 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.213 -1.032 . . . . 73.22 108.213 173.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 98' ' ' VAL . 7.3 p -109.99 135.81 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 123.371 0.668 . . . . 33.15 110.238 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -146.25 136.93 24.17 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.991 1.317 . . . . 70.22 108.874 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -101.29 119.98 39.56 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 108.751 -0.833 . . . . 74.3 108.751 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -73.97 -30.54 62.57 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.273 0.629 . . . . 70.12 110.201 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 140.08 -87.06 0.2 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.56 -1.016 . . . . 73.1 110.56 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.11 11.14 12.45 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.599 0.76 . . . . 73.55 111.258 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.8 m -145.54 150.89 37.24 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.694 1.197 . . . . 70.33 108.62 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.83 117.21 52.31 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 C-N-CA 123.281 0.632 . . . . 65.11 110.276 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.464 HG23 ' HG3' ' A' ' 57' ' ' ARG . 18.5 m -90.48 116.81 28.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.656 0.782 . . . . 42.25 109.395 170.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG22 HG23 ' A' ' 89' ' ' VAL . 40.1 t -113.93 145.52 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 107.286 -1.376 . . . . 74.24 107.286 166.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -135.91 150.63 49.39 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.21 1.004 . . . . 65.02 110.102 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.99 122.62 6.26 Favored Glycine 0 C--N 1.342 0.907 0 N-CA-C 108.846 -1.702 . . . . 55.01 108.846 162.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -71.97 110.04 6.2 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 117.414 0.607 . . . . 75.44 110.324 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 55' ' ' ARG . 2.9 tm? -111.61 136.19 51.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.325 1.05 . . . . 74.33 108.343 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -138.16 96.86 3.27 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.152 -1.055 . . . . 71.54 108.152 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.22 -120.38 0.06 OUTLIER Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.742 -0.663 . . . . 74.21 112.85 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.0 t -102.05 125.49 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.587 0.755 . . . . 62.11 109.814 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 C--O 1.246 0.894 0 N-CA-C 108.985 -0.746 . . . . 64.13 108.985 179.63 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 109.479 -0.563 . . . . 65.14 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.3 m170 58.67 27.03 15.28 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.844 1.257 . . . . 74.32 112.508 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -127.69 99.18 5.46 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 108.305 -0.998 . . . . 73.13 108.305 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -66.35 126.7 29.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 122.638 0.375 . . . . 51.42 111.332 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -114.6 -179.01 3.51 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.522 1.129 . . . . 71.24 109.209 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -82.4 27.49 0.5 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.984 0.514 . . . . 50.52 111.118 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -153.64 138.87 17.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.552 0.741 . . . . 64.51 109.468 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -135.9 146.31 47.23 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 106.75 -1.574 . . . . 73.24 106.75 167.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.7 m -79.82 160.67 26.04 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.124 0.487 . . . . 74.4 111.371 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.29 48.33 3.59 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.764 -0.653 . . . . 75.15 111.551 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' THR . 4.5 p30 -88.85 157.35 18.48 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.079 0.951 . . . . 71.15 111.107 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.43 106.69 19.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 107.575 -1.268 . . . . 72.24 107.575 170.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -81.15 104.54 11.7 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 109.423 -0.584 . . . . 74.22 109.423 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' THR . 48.4 t -93.82 124.84 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 123.898 0.879 . . . . 64.43 108.715 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -133.62 151.38 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.436 0.694 . . . . 73.5 110.138 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -129.06 126.21 38.94 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.97 -1.122 . . . . 62.54 107.97 163.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -102.53 111.13 23.3 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.548 -1.279 . . . . 73.31 107.548 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -100.74 126.83 47.31 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.351 0.596 . . . . 74.25 110.067 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 36.9 m -93.67 108.67 20.37 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 106.331 -1.729 . . . . 74.55 106.331 168.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t 179.91 170.38 1.16 Allowed 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.837 0.711 . . . . 42.12 110.054 -169.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -81.76 -3.19 53.19 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.556 0.742 . . . . 70.44 111.83 171.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.33 145.41 48.62 Favored Glycine 0 C--N 1.358 1.79 0 C-N-CA 123.364 0.507 . . . . 61.35 113.854 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -71.0 -54.15 12.28 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.163 0.585 . . . . 62.45 112.339 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -78.24 87.24 4.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.421 0.629 . . . . 72.02 110.507 -171.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -77.38 -17.85 57.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 114.932 -1.031 . . . . 74.21 110.881 176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.73 -80.88 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.868 1.267 . . . . 71.01 112.059 -173.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 55.19 18.88 2.61 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.744 1.217 . . . . 71.41 113.203 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 62.3 m -92.26 118.0 30.45 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.439 0.695 . . . . 63.45 109.483 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -123.9 123.17 39.84 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.524 -0.917 . . . . 74.13 108.524 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -97.19 104.11 16.1 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 107.539 -1.282 . . . . 73.24 107.539 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -123.46 123.87 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 109.11 -0.7 . . . . 73.23 109.11 -177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 12.7 t -86.55 -26.99 24.22 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 122.003 -0.436 . . . . 55.45 110.333 -173.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.443 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.8 m -106.52 143.62 34.38 Favored 'General case' 0 C--O 1.243 0.713 0 C-N-CA 123.229 0.612 . . . . 61.22 109.777 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -67.51 -30.44 70.12 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.303 0.641 . . . . 65.42 110.916 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.407 ' H ' HG22 ' A' ' 33' ' ' THR . 21.6 m -56.28 -38.64 71.47 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.039 0.935 . . . . 73.45 111.457 176.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 39.3 mt-10 -66.64 -42.77 86.18 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 115.441 -0.799 . . . . 55.24 110.308 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.404 HD11 HD13 ' A' ' 60' ' ' ILE . 9.2 tt -62.22 -30.29 70.99 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.138 -0.937 . . . . 75.11 111.394 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.58 -35.51 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.81 0.444 . . . . 73.12 111.664 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -33.91 26.97 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 118.919 -0.562 . . . . 64.22 111.689 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 37' ' ' LEU . 4.0 m -63.8 -26.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-N 118.184 0.447 . . . . 64.2 110.562 -176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD11 HD23 ' A' ' 75' ' ' LEU . 3.6 mm? -70.45 -38.92 74.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.868 0.467 . . . . 41.41 111.865 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -66.08 -49.64 66.89 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.452 0.701 . . . . 72.42 110.797 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.1 -46.7 61.26 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.53 -0.759 . . . . 71.42 110.884 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HG ' HG13 ' A' ' 48' ' ' ILE . 28.9 tp -71.04 -22.0 62.19 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.57 0.748 . . . . 75.11 111.133 -174.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -50.01 -44.74 51.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.367 1.067 . . . . 63.41 111.298 173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.87 -53.65 55.45 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 114.857 -1.065 . . . . 55.45 111.034 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -65.61 -43.11 90.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.854 0.862 . . . . 71.03 111.921 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.424 HG13 ' HG ' ' A' ' 44' ' ' LEU . 63.0 mt -60.76 -43.96 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.197 0.999 . . . . 72.21 109.826 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.21 -33.94 74.1 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 123.223 0.609 . . . . 75.12 110.897 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -79.49 -27.76 41.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.194 0.998 . . . . 65.45 112.0 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -120.83 17.29 11.85 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.358 0.663 . . . . 71.3 110.457 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 54.28 2.06 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.687 -0.965 . . . . 52.52 110.687 172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.1 p -73.92 -9.25 58.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.547 0.739 . . . . 43.33 111.958 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 19' ' ' THR . 62.8 tttp -142.88 -71.08 0.32 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.154 0.982 . . . . 74.52 109.687 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -147.07 144.44 29.09 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.548 0.739 . . . . 71.34 110.043 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.0 p -140.55 117.52 11.13 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.005 0.922 . . . . 72.25 109.278 173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 97' ' ' THR . 37.2 ttt-85 -112.16 113.67 26.06 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.705 0.802 . . . . 73.02 109.564 -174.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.2 m -97.84 119.69 36.9 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 122.699 0.4 . . . . 55.05 110.574 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -113.96 120.41 40.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.041 0.936 . . . . 74.44 109.642 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.404 HD13 HD11 ' A' ' 37' ' ' LEU . 48.9 mt -111.43 127.02 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 124.214 1.006 . . . . 54.0 108.45 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.3 m -61.59 103.2 0.3 Allowed 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 121.262 0.554 . . . . 74.03 111.116 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 96' ' ' VAL . . . -90.2 131.58 35.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.894 0.878 . . . . 73.5 109.693 176.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -88.25 -68.53 0.76 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.152 0.581 . . . . 73.32 109.657 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.417 ' H ' ' HG2' ' A' ' 67' ' ' GLU . 82.6 p -96.07 177.12 5.84 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 124.12 0.968 . . . . 74.22 110.269 175.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HG3' ' HD2' ' A' ' 66' ' ' LYS . 18.3 ptpt -65.8 -29.4 69.88 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.912 -0.403 . . . . 64.42 109.912 171.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' HD2' ' HG3' ' A' ' 65' ' ' LYS . 4.7 mptp? -66.07 -29.86 70.28 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 123.606 0.762 . . . . 73.11 110.955 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 17.3 mm-40 -72.39 -47.42 49.48 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.426 -0.583 . . . . 74.11 109.426 171.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.427 ' HA ' ' HB ' ' A' ' 96' ' ' VAL . . . -59.13 -34.65 72.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.159 0.983 . . . . 64.22 112.801 -175.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -84.43 -37.99 20.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 122.637 0.375 . . . . 71.4 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 60.5 pttt -81.8 -40.32 22.73 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 119.034 -0.507 . . . . 73.34 110.858 -173.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' A' ' 74' ' ' ILE . 88.9 m-85 -71.91 -23.26 61.45 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 118.119 0.418 . . . . 73.44 110.687 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.9 53.16 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 108.875 -0.787 . . . . 61.34 108.875 169.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' HD2' ' A' ' 77' ' ' LYS . . . -55.44 -46.2 76.76 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.998 0.812 . . . . 73.24 111.367 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 71' ' ' PHE . 96.6 mt -55.6 -36.02 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.489 1.116 . . . . 74.53 111.171 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.536 HD23 HD11 ' A' ' 41' ' ' LEU . 87.7 mt -77.87 -46.64 20.82 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.018 0.527 . . . . 73.51 111.432 178.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.488 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.8 mp -59.16 -41.19 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 C-N-CA 123.271 0.628 . . . . 62.42 111.293 -178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 73' ' ' ALA . 1.2 mpmm? -55.53 -38.07 68.76 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.045 0.938 . . . . 63.5 111.363 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 41' ' ' LEU . 90.0 t -79.85 -38.77 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.92 0.888 . . . . 71.11 111.283 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -79.63 -21.51 44.8 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.891 0.476 . . . . 73.51 111.999 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.19 62.62 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.803 0.335 . . . . 71.14 110.245 173.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.61 -29.45 27.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.368 0.667 . . . . 74.02 110.721 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.6 mt -88.09 -12.74 43.28 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.684 0.794 . . . . 72.04 111.752 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.09 98.98 0.11 Allowed Glycine 0 C--N 1.34 0.791 0 N-CA-C 110.457 -1.057 . . . . 41.34 110.457 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -77.98 104.53 8.6 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.15 0.58 . . . . 63.35 110.911 -170.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.45 HD21 ' HB3' ' A' ' 101' ' ' GLN . 4.8 p-10 -168.32 -172.42 1.72 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.818 1.247 . . . . 71.23 108.795 175.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -67.86 103.24 1.4 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.503 -0.555 . . . . 73.55 109.503 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.488 ' HB ' HG13 ' A' ' 76' ' ' ILE . 33.1 mm -83.65 128.71 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 108.762 -0.829 . . . . 72.54 108.762 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.0 134.52 34.19 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.643 0.377 . . . . 72.01 111.57 -173.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.39 141.26 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.39 1.076 . . . . 60.55 109.258 174.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.9 m -138.81 109.16 6.48 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.263 1.025 . . . . 73.33 108.757 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -86.86 99.59 11.94 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 108.858 -0.793 . . . . 70.01 108.858 175.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.29 130.64 56.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.094 -0.957 . . . . 72.25 109.15 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.34 31.67 81.54 Favored Glycine 0 C--N 1.353 1.475 0 CA-C-O 119.332 -0.705 . . . . 75.45 113.005 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 65.32 12.42 8.06 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 125.229 1.412 . . . . 63.03 112.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 35.3 m -103.98 144.73 31.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.425 1.09 . . . . 62.41 108.715 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.473 HG12 ' HB2' ' A' ' 62' ' ' ALA . 3.2 p -91.08 109.34 20.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 CA-C-O 121.843 0.83 . . . . 64.34 108.971 -179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.408 HG21 ' NH1' ' A' ' 57' ' ' ARG . 7.4 m -121.23 123.77 43.04 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 114.993 -1.003 . . . . 54.44 109.419 -178.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 76' ' ' ILE . 58.2 t -122.47 143.36 35.52 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 N-CA-C 109.218 -0.66 . . . . 71.24 109.218 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -140.72 160.03 40.93 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.906 0.883 . . . . 72.44 109.112 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.57 139.3 41.26 Favored Glycine 0 C--N 1.347 1.187 0 N-CA-C 111.962 -0.455 . . . . 71.12 111.962 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.45 ' HB3' HD21 ' A' ' 85' ' ' ASN . 34.0 tt0 -75.26 107.6 7.47 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.161 0.505 . . . . 63.21 110.339 -176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.559 ' H ' HD23 ' A' ' 102' ' ' LEU . 2.5 pt? -88.85 163.71 15.52 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.317 -0.856 . . . . 71.23 108.881 169.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -70.57 90.02 0.73 Allowed 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 109.451 -0.574 . . . . 74.11 109.451 175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -95.28 64.15 1.37 Allowed Glycine 0 C--N 1.342 0.913 0 N-CA-C 110.623 -0.991 . . . . 53.14 110.623 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -54.21 123.57 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.429 1.091 . . . . 71.14 112.181 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.555 1.155 0 C-N-CA 124.173 0.989 . . . . 70.13 110.652 -179.326 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.54 0.209 . . . . 71.44 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -85.24 76.15 10.2 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.838 0.828 . . . . 73.44 109.04 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.66 -25.57 63.06 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 114.531 -1.213 . . . . 75.13 110.705 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -82.85 58.38 4.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.66 0.784 . . . . 55.33 110.119 174.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -69.92 120.17 15.23 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 123.468 0.707 . . . . 74.54 110.043 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -118.0 123.45 45.74 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.671 0.788 . . . . 63.41 109.171 -175.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.63 153.92 42.88 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.869 0.468 . . . . 75.21 110.681 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.1 mtm-85 63.55 53.5 2.08 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 124.542 1.151 . . . . 75.32 108.951 -171.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.3 m -64.97 -29.23 70.15 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 114.884 -1.053 . . . . 71.54 111.079 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.52 159.95 29.09 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 116.431 -0.349 . . . . 64.32 113.151 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -72.17 153.16 41.79 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.246 0.546 . . . . 75.13 110.463 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 58.1 mt -108.09 118.95 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 C-N-CA 124.063 0.945 . . . . 74.52 109.445 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -80.77 146.45 30.99 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.809 0.844 . . . . 72.14 110.67 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 46.2 t -128.4 107.21 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 N-CA-C 106.725 -1.583 . . . . 72.2 106.725 173.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 58' ' ' THR . 86.5 mt-30 -113.4 104.07 11.92 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.801 -0.814 . . . . 54.54 108.801 -176.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.681 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 27.4 t-20 -104.69 117.46 34.14 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.261 -0.644 . . . . 74.5 109.261 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -120.17 109.56 15.57 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.427 -0.953 . . . . 54.24 108.427 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -102.98 119.91 39.69 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.406 -0.961 . . . . 74.12 108.406 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -118.9 120.12 36.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.026 0.931 . . . . 74.2 110.284 -172.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.4 p -172.89 157.57 3.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.519 1.128 . . . . 71.21 109.85 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.83 98.48 0.13 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.095 0.958 . . . . 73.02 110.768 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.92 -130.79 2.44 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.363 -1.095 . . . . 63.34 110.363 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -107.5 109.02 20.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.711 0.804 . . . . 62.21 109.671 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.3 p -82.21 95.83 7.66 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 109.793 -0.447 . . . . 73.31 109.793 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -75.68 94.32 3.22 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.996 0.519 . . . . 75.22 109.674 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.79 117.22 10.21 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.144 0.578 . . . . 73.23 109.744 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.681 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 55.4 m-85 -106.08 132.69 51.86 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.406 0.682 . . . . 75.34 109.173 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.4 m -139.05 125.54 20.49 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.57 0.748 . . . . 74.41 109.438 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 67.4 m-85 -123.42 148.66 45.91 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.284 1.033 . . . . 71.42 108.259 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.2 m -129.95 108.0 9.78 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 108.328 -0.989 . . . . 51.54 108.328 173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.604 HG21 ' HB2' ' A' ' 37' ' ' LEU . 33.5 m -104.75 160.74 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.516 0.727 . . . . 64.42 110.3 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 t -112.95 -13.89 13.08 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.049 0.54 . . . . 61.21 110.089 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.504 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 37.6 m -125.65 144.55 50.54 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.301 1.041 . . . . 70.24 109.999 -176.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.32 -38.24 89.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.293 1.037 . . . . 70.21 110.837 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.423 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 23.9 m -58.53 -44.02 89.4 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.21 -0.904 . . . . 54.14 111.643 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 52.6 mt-10 -60.53 -37.28 80.69 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 124.005 0.816 . . . . 44.11 110.92 178.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.604 ' HB2' HG21 ' A' ' 31' ' ' VAL . 7.9 tt -68.69 -35.58 77.38 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.818 -0.628 . . . . 74.2 110.865 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.99 -35.56 75.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.952 0.501 . . . . 74.31 110.767 174.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -71.14 -49.78 40.43 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.73 -0.668 . . . . 72.31 110.464 177.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 37' ' ' LEU . 15.5 m -64.1 -27.48 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 O-C-N 123.004 0.19 . . . . 63.51 111.023 -176.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 78' ' ' VAL . 2.6 mm? -81.14 -36.21 30.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.946 0.898 . . . . 72.14 111.97 175.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.35 -43.73 88.44 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.378 0.671 . . . . 72.22 110.357 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -81.93 -35.91 28.6 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.184 -0.916 . . . . 63.22 111.205 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 30.5 tp -54.68 -36.62 64.83 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 123.997 0.919 . . . . 71.35 110.871 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -52.49 -43.66 65.17 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.566 1.546 . . . . 75.25 112.008 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 27.3 t70 -66.29 -41.62 89.54 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.197 0.999 . . . . 70.42 111.321 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -62.35 -49.1 76.91 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.748 0.655 . . . . 73.13 111.755 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -67.24 -37.11 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 123.882 0.873 . . . . 75.01 110.275 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 82' ' ' LEU . 32.9 ttpt -61.29 -43.8 98.27 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.33 1.052 . . . . 72.4 110.679 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.3 -34.6 78.35 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.682 1.193 . . . . 63.44 110.407 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -65.2 -42.45 93.54 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.098 -0.956 . . . . 63.3 110.101 172.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.5 31.0 78.15 Favored Glycine 0 C--N 1.354 1.535 0 CA-C-N 115.265 -0.879 . . . . 72.33 111.584 -171.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.2 t -80.25 136.42 36.45 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 123.735 0.814 . . . . 72.41 111.005 -166.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -63.2 -48.5 78.07 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.19 0.931 . . . . 64.14 111.763 -175.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -97.49 126.58 42.85 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.92 -0.77 . . . . 64.42 108.92 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.5 p -131.61 121.76 24.9 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 107.452 -1.314 . . . . 65.03 107.452 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -137.65 140.36 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.14 0.576 . . . . 74.24 109.455 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' GLN . 10.0 m -140.15 132.69 28.68 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.775 0.43 . . . . 60.23 110.388 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.5 m -113.59 120.64 41.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.088 0.955 . . . . 42.24 108.95 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.408 HD13 HD21 ' A' ' 37' ' ' LEU . 48.2 mt -115.93 134.25 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.761 0.825 . . . . 72.04 109.78 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 44.4 m -64.49 135.8 56.42 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.92 0.488 . . . . 63.34 111.266 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -139.15 136.22 34.89 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 124.766 1.226 . . . . 72.44 109.171 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -94.95 -60.5 1.67 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.295 0.638 . . . . 51.22 109.544 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.2 p -102.1 170.12 8.31 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.56 -0.533 . . . . 73.24 109.56 172.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -28.39 61.38 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.242 0.46 . . . . 64.22 112.242 -174.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -70.24 -31.93 69.56 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 117.658 0.208 . . . . 64.42 110.793 174.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.1 mt-10 -68.0 -36.94 80.83 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.086 -0.506 . . . . 74.54 110.239 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.02 93.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.855 -0.611 . . . . 61.34 111.179 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.44 -37.05 63.38 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.949 0.499 . . . . 63.55 112.275 -176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.3 pttt -72.51 -39.1 67.87 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 117.781 0.264 . . . . 72.03 111.071 -178.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 37' ' ' LEU . 72.6 m-85 -76.74 -24.66 53.0 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 123.083 0.239 . . . . 61.04 111.485 175.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -58.99 -45.96 89.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.43 -0.581 . . . . 71.42 109.43 168.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.12 93.79 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.96 -1.018 . . . . 73.24 111.146 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -56.99 -28.1 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 123.794 0.837 . . . . 73.34 110.909 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.17 -48.9 12.43 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.326 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.413 HD11 HG21 ' A' ' 89' ' ' VAL . 46.6 mt -58.81 -35.61 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 C-N-CA 123.386 0.674 . . . . 73.44 111.311 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -25.11 67.01 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.61 0.764 . . . . 74.24 111.534 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 41' ' ' LEU . 14.1 t -84.63 -48.24 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.135 0.974 . . . . 72.13 110.846 177.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -65.44 -40.96 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.808 0.843 . . . . 62.33 112.156 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.93 73.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.864 0.727 . . . . 71.24 111.882 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.12 -47.07 81.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.372 0.669 . . . . 74.52 110.24 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 49' ' ' LYS . 70.9 mt -68.92 -27.36 65.69 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.003 -0.999 . . . . 71.35 111.374 -176.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.71 -142.57 14.08 Favored Glycine 0 C--N 1.344 0.986 0 N-CA-C 111.01 -0.836 . . . . 72.44 111.01 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 56.66 98.91 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.262 1.425 . . . . 53.11 111.108 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 85' ' ' ASN . 0.8 OUTLIER -78.95 125.07 28.88 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.383 -0.599 . . . . 63.44 109.383 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 70.16 97.75 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.438 1.495 . . . . 71.23 110.479 -170.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.5 mm -90.65 137.02 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.557 0.743 . . . . 72.22 109.014 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 101' ' ' GLN . 88.5 m-20 -87.26 130.07 34.73 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.969 0.507 . . . . 75.11 109.86 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.413 HG21 HD11 ' A' ' 76' ' ' ILE . 61.1 t -117.87 120.01 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.534 1.134 . . . . 75.24 108.66 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m -119.05 108.6 14.92 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.908 0.883 . . . . 70.42 109.513 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -73.01 115.08 11.89 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.484 -0.932 . . . . 64.2 108.484 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -131.7 73.78 1.55 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.448 0.699 . . . . 73.1 110.386 -170.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.78 -105.22 1.1 Allowed Glycine 0 C--N 1.346 1.133 0 CA-C-N 114.855 -1.066 . . . . 75.25 113.65 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.99 6.6 47.98 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.782 0.833 . . . . 71.21 111.322 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 p -141.47 132.75 26.52 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.943 0.897 . . . . 74.23 111.206 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.2 p -94.21 112.87 27.72 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 N-CA-C 108.832 -0.803 . . . . 44.23 108.832 168.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.1 m -101.53 104.12 15.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.387 1.075 . . . . 55.22 110.38 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.15 128.85 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.738 0.815 . . . . 62.41 109.027 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -134.82 138.4 44.2 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 123.867 0.867 . . . . 74.02 110.145 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -74.49 124.71 8.25 Favored Glycine 0 C--N 1.35 1.314 0 N-CA-C 110.049 -1.221 . . . . 23.1 110.049 168.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.418 ' HB3' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -74.14 168.68 19.09 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.176 0.59 . . . . 61.12 112.137 -170.396 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.33 101.6 14.27 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 108.272 -1.01 . . . . 54.43 108.272 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 103.28 13.57 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 108.867 -0.79 . . . . 71.35 108.867 -175.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 173.8 165.48 30.57 Favored Glycine 0 C--N 1.341 0.823 0 CA-C-N 115.656 -0.702 . . . . 54.11 111.374 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.64 144.0 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 122.777 0.431 . . . . 71.43 110.418 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 C--O 1.249 1.048 0 N-CA-C 109.127 -0.694 . . . . 71.54 109.127 178.606 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.286 -0.635 . . . . 60.31 109.286 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -125.6 115.27 19.89 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 108.902 -0.777 . . . . 73.44 108.902 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -111.93 152.31 28.19 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.652 0.781 . . . . 73.13 109.549 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -78.53 159.72 28.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.107 -0.701 . . . . 75.4 109.107 173.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -123.76 117.71 25.55 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 107.98 -1.118 . . . . 72.01 107.98 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.61 85.34 5.35 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.51 133.86 38.9 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.409 0.623 . . . . 72.42 109.563 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -106.55 37.31 2.35 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.534 1.134 . . . . 75.22 109.548 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -53.72 -39.08 64.95 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.057 0.943 . . . . 52.31 110.398 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.54 144.95 11.14 Favored Glycine 0 C--N 1.338 0.681 0 CA-C-N 114.318 -1.31 . . . . 70.24 111.002 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -71.77 135.23 46.64 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 52.8 mt -83.14 102.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 109.031 -0.729 . . . . 75.42 109.031 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -85.67 120.98 27.7 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 109.014 -0.735 . . . . 75.34 109.014 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.0 t -111.03 123.65 67.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.475 -1.305 . . . . 71.14 107.475 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -134.54 114.49 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.415 -0.957 . . . . 63.35 108.415 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 23.8 t-20 -104.23 146.23 29.09 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 109.39 -0.596 . . . . 73.04 109.39 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -122.34 108.58 13.4 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 107.961 -1.126 . . . . 70.22 107.961 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.463 HD21 ' HB2' ' A' ' 51' ' ' GLN . 43.4 t30 -101.39 148.76 24.78 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.315 -0.995 . . . . 73.25 108.315 178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.496 HG22 ' SG ' ' A' ' 20' ' ' CYS . 19.7 m -93.49 144.65 25.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.241 0.616 . . . . 60.23 110.172 -172.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.496 ' SG ' HG22 ' A' ' 19' ' ' THR . 35.2 m 67.49 29.95 7.01 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.304 1.442 . . . . 73.44 112.065 175.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -126.48 85.44 2.38 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.469 -0.937 . . . . 74.14 108.469 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.78 -35.51 62.01 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 115.022 -0.99 . . . . 75.22 112.455 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -95.9 61.15 2.15 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.466 1.127 . . . . 60.34 109.758 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 t -59.52 121.58 11.91 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.333 -1.303 . . . . 64.21 111.053 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -63.8 -68.8 0.32 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.365 -0.976 . . . . 71.03 108.365 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -177.28 135.76 0.2 Allowed 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.431 1.082 . . . . 41.23 108.672 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 87.2 m-85 -128.28 4.32 5.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.358 1.063 . . . . 73.11 110.703 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 71.9 m -105.42 117.57 34.35 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.291 0.636 . . . . 74.32 110.6 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -128.51 157.78 40.23 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.49 0.716 . . . . 64.23 109.186 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.03 129.35 41.89 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.687 -0.857 . . . . 73.02 108.687 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.85 132.25 61.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 C-N-CA 123.873 0.869 . . . . 74.34 108.885 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 t -87.88 -0.58 57.16 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.047 0.539 . . . . 62.35 111.672 -176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.455 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 30.2 m -141.18 151.11 43.56 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 123.605 0.762 . . . . 73.25 110.878 -178.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -66.17 -39.3 89.65 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.427 1.491 . . . . 75.34 113.981 -171.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.2 t -70.55 -31.8 68.97 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.268 0.227 . . . . 25.42 111.257 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 6.4 mm-40 -64.69 -30.16 71.17 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.554 0.692 . . . . 72.1 110.177 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 12' ' ' ILE . 25.0 tp -66.4 -33.69 76.28 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.197 -1.365 . . . . 75.1 112.063 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -61.34 -38.51 87.17 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.309 0.643 . . . . 75.22 111.119 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -68.89 -53.5 20.82 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.599 0.759 . . . . 74.33 110.641 -179.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.12 -28.42 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 115.718 -0.674 . . . . 75.34 112.089 -167.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HG ' HG22 ' A' ' 74' ' ' ILE . 3.6 mm? -71.76 -39.91 69.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.711 0.404 . . . . 73.54 111.593 174.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.39 -30.68 68.7 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.231 0.612 . . . . 73.4 111.294 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.35 -37.28 18.62 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.84 0.456 . . . . 74.3 110.893 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 27' ' ' TYR . 45.2 tp -62.72 -34.86 78.04 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.22 0.608 . . . . 73.5 110.381 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 34.0 ttpt -45.61 -46.82 14.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.717 1.607 . . . . 75.13 112.427 175.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -70.29 -35.58 73.8 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.718 0.807 . . . . 61.42 111.521 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -72.96 -23.57 60.68 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.311 0.644 . . . . 72.24 111.803 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -81.89 -48.08 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.225 1.01 . . . . 74.44 109.747 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -68.42 -22.18 64.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.905 0.882 . . . . 73.53 111.814 -171.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -55.05 -36.03 65.13 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.828 0.851 . . . . 74.14 110.831 175.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.463 ' HB2' HD21 ' A' ' 18' ' ' ASN . 14.5 mp0 -96.69 -71.0 0.69 Allowed 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.53 -1.285 . . . . 75.44 107.53 171.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 56.49 35.14 65.24 Favored Glycine 0 C--N 1.361 1.968 0 O-C-N 123.682 0.614 . . . . 63.34 113.547 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.63 -65.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.09 0.956 . . . . 72.4 112.244 -170.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HB2' HG21 ' A' ' 19' ' ' THR . 4.5 mptp? -120.46 -84.58 0.66 Allowed 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.752 -0.833 . . . . 63.22 108.752 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -120.67 165.9 14.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.64 0.733 . . . . 74.32 111.093 -168.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -136.12 127.11 27.76 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 106.424 -1.695 . . . . 45.32 106.424 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -124.59 108.17 11.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.03 0.832 . . . . 75.42 109.073 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -97.86 140.47 32.18 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 122.765 0.426 . . . . 73.45 110.272 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -121.41 118.27 29.01 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 107.246 -1.39 . . . . 43.42 107.246 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.4 mt -120.15 126.66 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.986 0.914 . . . . 73.41 108.831 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.464 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.8 m -61.07 128.31 35.78 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.503 0.721 . . . . 74.32 110.992 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -129.33 114.64 16.46 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.239 1.016 . . . . 60.21 108.359 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 9.4 mmt180 -76.59 -22.19 54.58 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-O 121.038 0.446 . . . . 64.15 111.74 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 72.1 p -135.38 170.4 16.0 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.543 1.137 . . . . 62.25 108.704 171.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.56 -25.31 65.74 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.505 -0.316 . . . . 72.31 110.48 170.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -66.4 -34.2 77.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.332 0.653 . . . . 73.14 111.043 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.659 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 33.5 mm-40 -66.85 -43.58 83.27 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.541 -0.54 . . . . 71.54 109.541 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -63.74 -30.21 71.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.18 0.992 . . . . 71.12 112.375 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.14 -58.64 4.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.535 0.734 . . . . 74.25 111.933 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 41.8 pttt -68.11 -28.88 67.71 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.676 -0.693 . . . . 65.44 111.714 -174.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.3 m-30 -88.58 -17.83 29.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.428 0.691 . . . . 73.41 112.161 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB2' ' HE1' ' A' ' 91' ' ' TRP . . . -59.98 -49.73 76.53 Favored 'General case' 0 C--O 1.217 -0.635 0 N-CA-C 108.361 -0.977 . . . . 73.42 108.361 166.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.57 68.31 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.894 0.746 . . . . 62.21 112.404 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.472 HG22 ' HG ' ' A' ' 41' ' ' LEU . 57.7 mt -58.99 -45.33 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 123.85 0.86 . . . . 73.12 110.305 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.51 -37.67 68.31 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.082 -0.963 . . . . 71.1 112.462 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 87' ' ' ILE . 1.7 mp -59.38 -38.01 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 123.399 0.68 . . . . 50.43 110.084 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.82 -55.6 28.29 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.259 0.624 . . . . 55.23 111.136 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 69.1 t -53.02 -52.59 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.608 1.163 . . . . 75.51 111.752 -175.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -69.38 -35.31 75.68 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.398 -0.819 . . . . 72.02 111.936 -174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.99 73.45 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.777 0.431 . . . . 50.52 111.105 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 49.6 mt-10 -83.54 -16.58 44.94 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.602 0.761 . . . . 64.4 111.485 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 91.4 mt -77.47 -23.25 50.41 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 109.448 -0.575 . . . . 71.34 109.448 167.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.68 -18.06 10.86 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.351 -0.84 . . . . 34.33 112.321 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.26 96.33 2.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.833 0.853 . . . . 72.53 109.804 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -79.01 -42.98 25.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.553 0.741 . . . . 72.14 110.291 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -69.86 123.83 22.47 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.221 -1.029 . . . . 74.43 108.221 169.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG13 HG13 ' A' ' 76' ' ' ILE . 48.9 mm -112.52 118.46 57.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 123.128 0.571 . . . . 75.13 109.955 -176.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.31 107.74 18.98 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 107.291 -1.374 . . . . 74.53 107.291 171.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.12 139.99 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.576 0.75 . . . . 61.23 110.05 -175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.3 m -129.82 119.64 23.7 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 124.537 1.135 . . . . 75.34 108.635 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.515 ' HE1' ' HB2' ' A' ' 72' ' ' ALA . 8.6 m-90 -97.33 98.52 10.04 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 109.044 -0.724 . . . . 73.22 109.044 173.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -80.64 -35.01 34.5 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.503 0.721 . . . . 52.4 109.928 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.53 -46.27 1.19 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-N 115.414 -0.812 . . . . 64.44 111.424 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.8 -24.76 35.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.359 0.664 . . . . 63.2 109.457 174.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 m -144.21 143.06 30.88 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.44 0.696 . . . . 64.44 109.744 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.18 138.01 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 108.38 -0.97 . . . . 72.25 108.38 164.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.3 m -131.98 135.48 46.59 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.538 0.735 . . . . 51.45 109.212 -177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.53 140.9 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.956 -1.127 . . . . 72.2 107.956 172.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -132.1 145.54 51.47 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 71.43 109.775 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -70.66 114.24 5.25 Favored Glycine 0 C--N 1.353 1.512 0 O-C-N 124.181 0.926 . . . . 43.11 112.174 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -79.63 129.87 34.86 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.55 0.74 . . . . 73.1 109.358 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.6 114.55 27.04 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 108.214 -1.032 . . . . 72.43 108.214 174.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.08 88.16 0.59 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.643 0.735 . . . . 72.31 109.641 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -170.75 50.67 0.19 Allowed Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 109.913 -1.275 . . . . 14.31 109.913 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.8 170.1 1.42 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.737 0 C-N-CA 123.547 0.739 . . . . 61.03 110.934 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 123.859 0.864 . . . . 53.1 108.671 -178.022 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.973 0.416 . . . . 74.15 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -143.12 154.88 44.36 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.542 1.137 . . . . 73.15 108.679 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -71.08 99.85 1.92 Allowed 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.673 0.749 . . . . 75.31 110.44 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -81.93 165.11 21.05 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.425 -0.807 . . . . 71.42 111.481 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -72.6 172.22 11.0 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.196 -0.911 . . . . 75.42 109.32 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -53.42 99.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.851 0.86 . . . . 75.22 111.438 -172.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -69.76 129.85 40.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 115.464 -0.789 . . . . 75.32 110.379 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -92.94 -165.25 1.3 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.13 0.972 . . . . 73.23 110.389 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -56.66 120.55 7.98 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.344 0.658 . . . . 43.2 110.048 172.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.9 91.41 0.23 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 110.556 -1.017 . . . . 70.12 110.556 173.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -67.1 151.06 48.3 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.973 0.909 . . . . 63.14 111.534 -168.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 41.6 mt -78.21 105.19 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.934 -1.03 . . . . 72.03 109.639 -176.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -86.77 113.98 23.06 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 108.872 -0.788 . . . . 74.12 108.872 172.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.7 t -100.21 123.39 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.471 1.109 . . . . 61.45 108.377 173.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -128.86 151.81 49.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.369 1.068 . . . . 63.14 108.878 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -136.57 116.88 13.59 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.441 -0.948 . . . . 72.2 108.441 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -101.51 110.45 22.45 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.094 -1.076 . . . . 75.43 108.094 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -100.45 113.18 25.75 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.131 -1.433 . . . . 74.31 107.131 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.9 p -124.08 125.49 44.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.38 0.672 . . . . 75.11 109.671 -172.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' HB3' ' H ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -164.73 173.26 12.03 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 124.322 1.049 . . . . 44.13 109.741 -177.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -67.52 129.97 41.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.266 0.627 . . . . 74.21 110.67 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.84 -72.73 2.67 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 116.235 -0.439 . . . . 61.53 112.769 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -95.99 147.99 23.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.459 0.704 . . . . 63.33 111.758 -175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.3 m -150.05 135.57 18.25 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.074 1.35 . . . . 73.11 108.567 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.13 164.13 22.29 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.417 0.687 . . . . 72.04 110.309 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -148.27 131.26 16.24 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 108.748 -0.834 . . . . 64.34 108.748 172.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -113.56 136.66 52.56 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.192 -1.04 . . . . 71.3 108.192 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.7 m -135.55 128.0 30.48 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 118.01 0.368 . . . . 72.32 110.651 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.65 133.41 43.55 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.118 1.367 . . . . 71.23 108.045 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.4 m -114.66 109.3 18.01 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.247 -0.649 . . . . 71.14 109.247 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.5 m -114.84 155.6 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.713 0.805 . . . . 63.11 109.746 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.7 t -111.29 -4.09 15.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.735 0.414 . . . . 70.13 110.665 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.513 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 3.4 m -133.26 143.8 49.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.622 0.769 . . . . 64.4 109.694 -177.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 37.9 mt-10 -68.11 -33.26 74.19 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.685 0.794 . . . . 72.43 110.98 -178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 m -58.21 -46.95 84.94 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.165 -0.925 . . . . 72.22 110.986 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 42.6 mt-10 -60.44 -46.05 91.43 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.781 0.833 . . . . 71.51 110.002 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.558 ' HB2' HG21 ' A' ' 31' ' ' VAL . 5.6 tt -55.62 -35.73 66.2 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 114.285 -1.325 . . . . 74.12 112.319 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -57.24 -46.79 82.67 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.248 0.619 . . . . 74.5 111.423 -176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -31.2 62.56 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.927 0.491 . . . . 71.13 111.081 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -58.41 -40.71 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.828 0.851 . . . . 73.42 111.01 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.639 HD12 HG21 ' A' ' 78' ' ' VAL . 4.2 mm? -71.45 -29.24 64.63 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.042 0.537 . . . . 72.23 112.301 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -75.04 -43.97 50.43 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.188 0.595 . . . . 73.34 111.237 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.57 -39.58 77.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.498 0.319 . . . . 74.32 110.493 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.35 -43.82 96.61 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.215 1.006 . . . . 74.03 110.122 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -47.52 -45.67 26.82 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.495 1.518 . . . . 71.2 112.039 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.24 -44.07 97.85 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 114.9 -1.045 . . . . 72.15 111.025 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -72.6 -36.13 68.03 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.592 0.757 . . . . 74.3 112.206 -173.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.5 -44.93 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.907 0.883 . . . . 64.53 109.591 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.518 ' HB2' HD22 ' A' ' 82' ' ' LEU . 33.2 ttpt -69.24 -44.78 71.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.268 1.427 . . . . 74.44 111.968 -178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -66.78 -34.25 77.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.758 1.223 . . . . 75.34 111.484 -169.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.17 139.76 32.97 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 108.492 -0.929 . . . . 74.44 108.492 168.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.42 43.86 3.28 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-O 120.132 -0.26 . . . . 75.14 112.906 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 t -73.89 158.37 34.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.003 0.521 . . . . 75.41 110.142 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.638 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 57.1 tptt -79.75 -59.82 2.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.373 0.669 . . . . 74.1 110.216 -172.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.18 135.28 42.96 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.209 -0.663 . . . . 73.15 109.209 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -137.21 129.1 29.03 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.451 -0.944 . . . . 74.21 108.451 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -117.61 127.19 53.71 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 109.369 -0.604 . . . . 61.53 109.369 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.552 ' HB ' HD22 ' A' ' 75' ' ' LEU . 13.0 m -97.1 144.04 27.34 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.944 -1.132 . . . . 75.31 107.944 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 13.0 t -137.86 120.94 16.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.51 0.724 . . . . 52.11 109.463 -170.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.481 HD13 HD11 ' A' ' 37' ' ' LEU . 55.9 mt -121.2 134.63 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 124.015 0.926 . . . . 65.31 109.639 -173.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.429 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 62.1 m -68.21 138.7 55.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.445 0.698 . . . . 64.44 110.968 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.44 129.08 19.21 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.018 0.927 . . . . 74.13 109.026 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -93.56 -43.44 8.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.739 0.416 . . . . 71.43 110.102 -170.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -105.03 166.37 10.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.589 0.756 . . . . 75.22 109.761 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -35.62 79.65 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 123.968 0.792 . . . . 74.22 110.796 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.57 -36.74 83.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.369 0.668 . . . . 74.23 110.761 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 50.7 mt-10 -68.69 -39.5 80.52 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 115.589 -0.732 . . . . 73.54 110.376 173.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.4 89.8 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.719 0.407 . . . . 44.2 111.215 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -76.14 -36.61 58.7 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.888 0.875 . . . . 54.34 111.673 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 61.8 pttt -82.07 -41.49 20.52 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 119.198 -0.429 . . . . 74.42 111.997 -174.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' HA ' HD12 ' A' ' 74' ' ' ILE . 81.2 m-85 -70.43 -26.06 63.49 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 118.232 0.469 . . . . 71.3 110.865 177.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.5 -50.13 74.05 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 123.787 0.679 . . . . 72.14 109.651 168.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -64.21 -36.75 85.08 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.511 0.725 . . . . 73.21 111.879 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 71' ' ' PHE . 93.5 mt -59.51 -41.06 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 124.645 1.178 . . . . 63.25 110.466 175.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 58' ' ' THR . 95.8 mt -67.9 -42.94 80.36 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 123.773 0.829 . . . . 73.1 112.371 173.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.454 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.6 mp -58.08 -36.38 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 123.03 0.532 . . . . 65.34 110.737 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.9 mtpt -62.58 -42.84 99.8 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.714 0.805 . . . . 73.12 111.748 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.639 HG21 HD12 ' A' ' 41' ' ' LEU . 31.2 t -61.66 -49.75 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.078 0.951 . . . . 75.41 111.198 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.426 ' HB3' HD12 ' A' ' 87' ' ' ILE . 89.9 m-85 -72.67 -22.4 60.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.775 0.43 . . . . 74.32 111.997 178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.01 73.21 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.376 0.67 . . . . 63.35 110.714 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.97 -40.64 68.47 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.472 -0.785 . . . . 64.11 110.333 172.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 49' ' ' LYS . 85.1 mt -68.02 -24.37 65.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.673 0.789 . . . . 74.22 112.213 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -168.34 138.65 5.24 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.395 0.434 . . . . 53.35 112.215 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -82.28 72.97 9.35 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.065 0.936 . . . . 65.11 108.78 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -145.53 169.1 19.05 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.121 1.368 . . . . 73.3 108.645 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.07 144.8 56.48 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.931 0.492 . . . . 60.44 109.761 170.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' A' ' 79' ' ' TYR . 20.8 mm -119.84 138.05 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 N-CA-C 108.734 -0.839 . . . . 74.12 108.734 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 98' ' ' VAL . 39.4 t30 -93.37 141.46 28.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.873 0.869 . . . . 74.44 109.844 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.454 ' HB ' HD11 ' A' ' 76' ' ' ILE . 2.7 p -121.58 130.59 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.896 0.878 . . . . 72.42 108.872 175.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.7 m -129.46 104.75 7.66 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.203 -0.666 . . . . 62.23 109.203 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 m-90 -78.2 109.59 12.44 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.852 -0.796 . . . . 71.41 108.852 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.17 -6.55 59.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.205 0.602 . . . . 64.04 110.72 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.13 -104.39 0.77 Allowed Glycine 0 C--N 1.349 1.292 0 N-CA-C 111.255 -0.738 . . . . 45.21 111.255 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.56 0.72 25.11 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.951 0.9 . . . . 72.14 112.144 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.9 m -141.99 130.18 22.16 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.014 -1.106 . . . . 74.14 108.014 172.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 59' ' ' SER . 17.6 m -92.78 144.33 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.596 0.758 . . . . 65.34 108.983 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.8 m -136.32 106.63 6.41 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.258 0.623 . . . . 73.41 109.48 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 88' ' ' ASN . 44.5 t -104.35 138.96 26.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 123.624 0.77 . . . . 60.24 110.628 -177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -123.99 135.04 53.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.265 1.426 . . . . 71.31 108.715 -174.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.1 101.53 2.27 Favored Glycine 0 C--N 1.341 0.82 0 N-CA-C 110.818 -0.913 . . . . 61.44 110.818 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 pm0 -74.63 169.29 18.11 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.432 0.693 . . . . 71.1 112.041 -174.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.45 150.44 46.5 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 114.928 -1.033 . . . . 70.41 110.883 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.45 67.08 5.57 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.884 -1.053 . . . . 62.41 109.778 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.78 4.48 85.77 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-N 115.054 -0.976 . . . . 65.42 113.077 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.2 m -99.48 143.06 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.814 0.846 . . . . 74.32 110.095 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.249 1.029 0 N-CA-C 108.72 -0.844 . . . . 74.54 108.72 177.765 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' ND1' ' A' ' 2' ' ' HIS . 17.4 tmm? . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 108.821 -0.807 . . . . 71.2 108.821 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.417 ' ND1' ' SD ' ' A' ' 1' ' ' MET . 29.2 m80 -145.57 132.0 19.69 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 109.144 -0.687 . . . . 73.44 109.144 169.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -139.74 102.31 4.4 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.917 -0.771 . . . . 74.31 108.917 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -157.16 151.75 25.44 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.583 0.753 . . . . 73.34 109.594 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -129.41 152.33 49.07 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.326 0.65 . . . . 71.13 110.431 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -97.08 125.31 41.47 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.783 0.833 . . . . 44.32 110.049 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -147.73 177.11 9.57 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.251 0.62 . . . . 73.44 110.758 -177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -129.85 105.19 7.84 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.12 0.568 . . . . 63.34 110.852 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -73.33 109.17 6.65 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 107.966 -1.124 . . . . 73.35 107.966 170.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.89 75.86 1.3 Allowed Glycine 0 C--N 1.337 0.616 0 N-CA-C 109.331 -1.508 . . . . 73.3 109.331 -166.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -65.57 147.99 52.48 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.331 1.053 . . . . 73.24 111.036 -173.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG21 HD12 ' A' ' 37' ' ' LEU . 54.5 mt -76.19 103.54 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.37 -0.832 . . . . 74.52 109.864 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -100.3 118.81 37.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.897 0.479 . . . . 74.31 110.273 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -92.97 127.35 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.346 1.059 . . . . 74.33 108.96 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG2' HG23 ' A' ' 28' ' ' THR . 46.5 mt-30 -133.51 109.8 9.52 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.479 0.712 . . . . 64.4 109.798 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.645 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.6 t-20 -104.48 122.43 45.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 110.002 -0.37 . . . . 73.51 110.002 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -103.31 123.61 47.12 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.598 -0.89 . . . . 63.51 108.598 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.634 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 6.0 p30 -113.2 123.57 50.51 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 108.95 -0.759 . . . . 74.01 108.95 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.615 ' HB ' ' HB3' ' A' ' 55' ' ' ARG . 36.2 m -95.18 110.48 22.44 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 123.622 0.769 . . . . 43.24 109.846 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.4 p 177.26 166.94 0.59 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.454 1.502 . . . . 71.33 109.343 -175.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -72.47 92.68 1.48 Allowed 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 121.178 0.513 . . . . 71.24 109.928 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.29 178.9 41.19 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.061 -0.972 . . . . 21.25 111.383 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -133.42 5.54 3.76 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.475 0.71 . . . . 71.0 110.343 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -83.27 98.77 9.59 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.704 -0.622 . . . . 52.41 110.252 -176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.69 23.17 12.18 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.593 1.157 . . . . 74.13 109.875 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.53 6.41 5.84 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.808 1.243 . . . . 75.34 111.96 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.645 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 40.5 m-85 -74.04 1.75 10.31 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.023 1.329 . . . . 71.43 112.204 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.605 HG23 ' HG2' ' A' ' 15' ' ' GLN . 60.9 m -94.49 119.63 33.48 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.711 0.805 . . . . 65.05 110.955 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -131.85 158.7 40.64 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.351 1.06 . . . . 75.54 109.34 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -130.41 111.57 12.44 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.367 0.667 . . . . 74.1 109.772 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.36 143.64 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.816 0.846 . . . . 73.14 110.05 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.0 t -98.05 -4.69 35.45 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 122.015 -0.428 . . . . 34.23 111.12 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 35' ' ' SER . 19.3 m -123.1 137.97 54.78 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.249 0.62 . . . . 71.4 110.269 -176.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.29 -30.74 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.341 1.056 . . . . 71.54 111.181 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 33' ' ' THR . 22.4 m -58.58 -54.69 44.21 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.523 0.729 . . . . 73.2 110.322 174.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -67.03 -21.82 65.91 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.346 -0.843 . . . . 63.42 112.344 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.5 HD22 HG21 ' A' ' 74' ' ' ILE . 1.7 tt -63.6 -51.0 67.17 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.653 0.781 . . . . 73.01 108.899 170.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -63.7 -34.01 76.9 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.874 0.87 . . . . 74.24 111.896 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -63.14 -60.01 4.0 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.719 -0.474 . . . . 72.11 109.719 172.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.09 -23.07 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-N 115.658 -0.701 . . . . 71.44 112.293 -166.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD12 HG21 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -73.21 -41.66 63.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.432 0.693 . . . . 72.52 110.665 175.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.7 -27.25 61.96 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.198 -0.91 . . . . 63.42 110.048 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -75.66 -40.62 55.78 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.044 0.538 . . . . 73.23 110.137 172.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 27' ' ' TYR . 20.5 tp -70.27 -23.49 62.89 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.966 -0.561 . . . . 43.54 110.655 -179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' HG3' HD21 ' A' ' 82' ' ' LEU . 37.9 ttpt -54.42 -39.42 67.31 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.21 1.004 . . . . 64.43 111.383 174.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -58.09 -44.11 87.44 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.86 0.864 . . . . 73.21 111.062 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -66.63 -54.87 18.66 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.349 0.66 . . . . 74.35 110.765 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -58.75 -40.44 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 124.065 0.946 . . . . 55.12 111.537 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -69.15 -47.47 64.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.62 1.168 . . . . 63.34 111.449 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -82.06 -20.62 37.87 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.658 -1.156 . . . . 74.42 111.483 -172.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -76.36 122.03 23.87 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 109.424 -0.584 . . . . 64.31 109.424 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.16 77.22 0.86 Allowed Glycine 0 C--N 1.349 1.258 0 N-CA-C 111.125 -0.79 . . . . 74.21 111.125 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 18' ' ' ASN . 8.1 t -136.89 135.92 38.22 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.494 0.718 . . . . 63.45 109.609 -170.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -75.39 -65.37 0.9 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.226 0.61 . . . . 73.05 111.186 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.615 ' HB3' ' HB ' ' A' ' 19' ' ' THR . 23.3 tpp180 -97.96 134.05 41.6 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.287 0.635 . . . . 74.15 109.771 -172.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 t -139.55 127.75 22.54 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.001 -0.74 . . . . 51.55 109.001 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -140.12 123.14 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 109.428 -0.582 . . . . 72.3 109.428 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -101.46 151.35 22.05 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.384 0.674 . . . . 74.24 110.422 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -142.22 119.43 11.46 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 108.384 -0.969 . . . . 62.15 108.384 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.47 HD13 HD21 ' A' ' 37' ' ' LEU . 34.3 mt -118.2 127.4 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 124.293 1.037 . . . . 72.24 110.366 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 85.0 m -60.33 124.15 19.43 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.543 0.737 . . . . 71.52 110.79 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 67' ' ' GLU . . . -131.06 102.68 6.13 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.391 1.077 . . . . 22.42 109.43 -174.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -58.47 -34.56 71.01 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.199 0.6 . . . . 61.22 112.242 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -128.35 166.9 17.76 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.192 0.997 . . . . 73.13 109.797 174.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 116.076 -0.511 . . . . 72.25 110.153 172.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -50.97 -47.28 61.34 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.139 1.376 . . . . 44.43 110.325 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 36.4 mm-40 -67.09 -47.62 70.67 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.558 -0.746 . . . . 71.44 110.404 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.32 71.14 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 124.372 1.045 . . . . 62.03 112.853 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HA ' ' HE1' ' A' ' 91' ' ' TRP . 42.1 mt-10 -76.46 -44.6 34.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.617 0.767 . . . . 73.13 111.862 -177.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -78.63 -23.61 45.73 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.395 0.517 . . . . 73.45 112.395 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -90.52 -19.43 23.81 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.926 0.49 . . . . 74.15 111.773 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -60.61 -43.89 96.92 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 108.773 -0.825 . . . . 64.13 108.773 164.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.05 -32.41 72.92 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.077 -0.965 . . . . 73.34 112.001 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.5 HG21 HD22 ' A' ' 37' ' ' LEU . 58.6 mt -62.5 -42.13 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 123.337 0.655 . . . . 64.24 110.759 173.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.412 HD21 HD11 ' A' ' 60' ' ' ILE . 98.3 mt -74.6 -35.7 62.97 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.737 -0.665 . . . . 63.52 112.188 -178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.594 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -66.9 -36.97 78.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.158 0.583 . . . . 64.55 109.731 175.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.85 -48.12 82.0 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.846 0.858 . . . . 71.25 111.373 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 HD12 ' A' ' 41' ' ' LEU . 58.4 t -71.17 -42.09 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 114.782 -1.099 . . . . 73.21 111.626 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -75.95 -18.52 59.3 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.248 0.619 . . . . 73.22 112.261 -178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.13 -29.63 63.03 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.994 0.518 . . . . 75.22 110.638 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.34 -32.78 64.75 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.413 -0.812 . . . . 71.52 110.241 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 45' ' ' LYS . 60.5 mt -77.39 -26.23 51.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.639 -0.71 . . . . 74.11 111.282 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.89 126.36 1.44 Allowed Glycine 0 C--N 1.337 0.626 0 N-CA-C 110.186 -1.166 . . . . 64.33 110.186 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.86 69.95 4.16 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.585 0.754 . . . . 74.04 109.777 -173.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -139.13 163.55 32.14 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.855 1.262 . . . . 70.3 108.428 -176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 145.47 49.61 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 108.912 -0.773 . . . . 74.02 108.912 168.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.609 ' HA ' ' HB3' ' A' ' 101' ' ' GLN . 14.2 mm -114.17 147.62 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 N-CA-C 109.646 -0.502 . . . . 73.3 109.646 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -88.3 121.34 30.58 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.433 0.693 . . . . 74.22 109.773 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.521 HG22 HD11 ' A' ' 76' ' ' ILE . 15.8 t -107.96 131.42 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.058 0.543 . . . . 64.42 110.196 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.9 m -119.34 107.79 13.8 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 108.35 -0.981 . . . . 74.21 108.35 169.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.49 ' HE1' ' HA ' ' A' ' 69' ' ' GLU . 19.6 m-90 -81.21 100.08 8.92 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.561 -0.904 . . . . 72.35 108.561 173.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 95' ' ' THR . 22.0 t70 -73.95 -44.93 53.29 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.238 0.615 . . . . 74.53 110.565 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.11 -82.0 0.21 Allowed Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.649 -0.581 . . . . 61.2 111.649 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.63 -10.41 59.51 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.217 0.607 . . . . 70.41 110.932 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 69.3 m -145.29 143.99 30.51 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.019 1.328 . . . . 73.22 108.38 177.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.457 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.1 p -97.43 139.49 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 108.382 -0.97 . . . . 72.51 108.382 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.3 m -129.53 104.1 7.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.838 -0.801 . . . . 74.21 108.838 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 79.2 t -104.45 135.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 123.294 0.638 . . . . 74.14 109.899 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -118.44 139.57 51.21 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 124.45 1.1 . . . . 71.21 108.318 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -65.65 94.12 0.19 Allowed Glycine 0 C--N 1.352 1.433 0 O-C-N 123.988 0.805 . . . . 72.23 113.091 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.609 ' HB3' ' HA ' ' A' ' 87' ' ' ILE . 5.5 tp-100 -74.94 108.45 7.68 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.667 0.787 . . . . 72.34 110.301 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -99.37 115.63 29.68 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 107.192 -1.41 . . . . 75.2 107.192 171.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -96.97 128.87 44.36 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 108.679 -0.86 . . . . 51.51 108.679 169.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 170.53 23.66 0.02 OUTLIER Glycine 0 C--N 1.339 0.74 0 O-C-N 123.583 0.552 . . . . 71.22 113.367 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 m -89.23 65.32 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.36 1.076 . . . . 73.4 109.737 174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.252 1.207 0 CA-C-N 114.438 -1.255 . . . . 62.41 109.161 -175.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 109.827 -0.434 . . . . 71.03 109.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.62 77.86 5.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.55 0.69 . . . . 71.11 109.219 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -144.37 133.38 22.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.213 1.005 . . . . 71.43 108.437 173.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -79.55 77.84 6.12 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.1 -1.074 . . . . 54.41 108.1 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -81.4 90.1 6.16 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 109.046 -0.724 . . . . 73.11 109.046 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -69.43 125.97 28.32 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.266 -0.425 . . . . 74.42 109.932 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -165.43 138.36 4.4 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.219 -1.03 . . . . 74.03 108.219 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.42 103.45 0.31 Allowed 'General case' 0 C--O 1.243 0.733 0 C-N-CA 123.191 0.596 . . . . 74.31 109.974 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.42 ' HA ' ' HG3' ' A' ' 63' ' ' ARG . 50.7 m -66.79 97.22 0.45 Allowed 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.126 -0.943 . . . . 65.22 110.222 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.37 131.44 51.4 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.122 -0.945 . . . . 65.3 110.952 172.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -59.92 156.83 13.66 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.998 0.919 . . . . 64.24 112.254 -170.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -79.63 104.18 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 115.279 -0.873 . . . . 60.2 110.458 -166.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -94.85 132.63 39.45 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 108.815 -0.809 . . . . 50.42 108.815 169.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' THR . 45.2 t -118.57 130.05 73.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.419 0 C-N-CA 124.818 1.247 . . . . 72.51 107.954 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -124.75 144.83 50.04 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 108.388 -0.967 . . . . 60.03 108.388 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.482 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 28.5 t-20 -140.28 128.61 22.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.686 0.394 . . . . 61.3 110.087 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 56' ' ' SER . 15.3 m120 -107.61 112.93 25.89 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.741 1.216 . . . . 72.23 108.997 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -99.97 146.76 26.33 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.594 0.358 . . . . 31.44 110.856 -175.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -95.94 157.16 16.02 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 107.932 -1.136 . . . . 75.35 107.932 164.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.8 m 56.95 45.84 20.58 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.744 0.818 . . . . 70.54 111.087 -167.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -95.12 132.01 40.5 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 109.003 -0.74 . . . . 62.21 109.003 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.69 -63.01 0.06 OUTLIER Glycine 0 C--N 1.341 0.852 0 N-CA-C 111.508 -0.637 . . . . 73.24 111.508 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -149.89 105.89 3.45 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.445 0.698 . . . . 74.24 109.372 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -155.94 -177.49 6.61 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 124.93 1.292 . . . . 71.24 108.198 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -83.28 170.96 14.08 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.955 0.502 . . . . 75.05 109.751 175.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -84.28 126.08 32.85 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.009 0.524 . . . . 74.15 110.434 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.7 m-85 -81.87 13.45 3.27 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.505 1.122 . . . . 71.12 112.351 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 17.3 m -85.84 126.0 33.71 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 109.441 -0.577 . . . . 62.11 109.441 172.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -123.37 155.75 36.74 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.686 0.794 . . . . 70.04 109.84 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -131.59 105.56 7.62 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.333 -0.988 . . . . 64.33 108.333 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.95 144.98 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 108.657 -0.868 . . . . 63.5 108.657 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 t -98.08 -31.51 12.09 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.062 0.458 . . . . 50.31 110.069 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.581 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 22.6 m -99.47 139.99 34.32 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 61.44 109.444 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 36.7 mt-10 -66.98 -28.16 68.03 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.71 0.804 . . . . 34.11 111.328 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.485 ' H ' HG22 ' A' ' 33' ' ' THR . 33.6 t -64.23 -45.67 87.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.872 0.869 . . . . 55.33 110.685 177.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 51.7 mt-10 -57.85 -27.95 63.69 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.708 0.803 . . . . 73.34 111.139 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 40' ' ' VAL . 27.4 tp -70.87 -36.93 73.03 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.686 -0.688 . . . . 74.1 111.387 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.16 -32.94 73.54 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.265 0.626 . . . . 63.22 110.127 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HD2' ' O ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -73.46 -47.62 39.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.187 0.995 . . . . 62.31 111.091 177.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.7 p -65.87 -42.01 91.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 119.127 -0.463 . . . . 65.24 110.657 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD12 HG21 ' A' ' 78' ' ' VAL . 3.1 mm? -64.8 -29.25 70.21 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.453 0.301 . . . . 75.12 111.806 177.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.55 -50.99 67.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.271 0.628 . . . . 70.2 110.581 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.46 -29.82 27.73 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 112.279 0.474 . . . . 52.41 112.279 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -69.66 -32.9 71.82 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.219 0.607 . . . . 73.35 109.819 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HG3' HG13 ' A' ' 78' ' ' VAL . 36.1 ttpt -49.94 -37.1 30.46 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.037 1.335 . . . . 73.44 112.082 175.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.16 -43.37 91.99 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.813 0.845 . . . . 72.0 111.088 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -72.88 -34.23 66.56 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.43 0.692 . . . . 71.44 110.486 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.625 HG23 ' HB2' ' A' ' 56' ' ' SER . 79.6 mt -68.94 -30.33 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 125.427 1.491 . . . . 75.35 110.432 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -85.22 -31.5 23.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.963 0.905 . . . . 61.51 110.303 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.28 -46.42 77.05 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.311 1.044 . . . . 70.31 109.868 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -101.04 -163.59 1.03 Allowed 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.04 -0.982 . . . . 64.3 108.925 172.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.96 59.76 6.2 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-O 119.84 -0.422 . . . . 34.23 113.178 176.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -55.63 -51.43 67.23 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.662 0.785 . . . . 64.45 111.913 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -81.21 -65.75 0.97 Allowed 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.678 -0.86 . . . . 55.25 108.678 172.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.72 165.89 35.16 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.561 0.696 . . . . 74.52 111.577 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.625 ' HB2' HG23 ' A' ' 48' ' ' ILE . 50.0 m -133.4 119.66 19.93 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.24 -1.393 . . . . 71.42 107.24 166.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -98.91 122.91 42.78 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.568 0.747 . . . . 64.13 110.844 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 m -102.25 143.29 32.21 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.223 0.609 . . . . 73.2 109.573 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -141.42 119.97 12.44 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 107.672 -1.233 . . . . 72.52 107.672 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.5 mt -124.91 139.28 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 124.048 0.939 . . . . 74.34 110.452 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.4 m -56.56 130.52 45.46 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.218 1.007 . . . . 70.53 111.823 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.07 133.45 35.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.031 0.932 . . . . 63.41 108.847 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 5.8 mmp_? -94.17 -40.48 10.01 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 121.865 -0.522 . . . . 71.23 110.975 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.445 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 67.9 p -122.61 171.46 9.12 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.893 0.877 . . . . 75.42 108.968 173.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -64.36 -30.09 71.15 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.453 0.301 . . . . 63.45 110.571 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -67.31 -31.31 71.5 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.49 0.716 . . . . 74.34 110.308 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 6.9 mm-40 -73.81 -40.07 63.63 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.685 0.755 . . . . 73.11 110.065 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.52 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -66.63 -38.07 86.14 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 114.581 -1.19 . . . . 54.45 111.964 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.04 -32.46 30.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.654 0.382 . . . . 74.13 111.642 -174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 64.6 pttt -69.26 -36.17 76.84 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.767 0.318 . . . . 70.45 110.207 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 17.1 m-30 -88.29 -17.23 31.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.214 0.605 . . . . 65.2 112.624 177.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB2' ' HE1' ' A' ' 91' ' ' TRP . . . -58.42 -43.12 88.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.204 -0.665 . . . . 74.23 109.204 169.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.74 -40.7 80.26 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.081 0.863 . . . . 73.0 111.936 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.83 -36.79 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.148 0.979 . . . . 72.32 111.051 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.11 -45.02 15.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.865 0.466 . . . . 73.34 111.334 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.17 -32.8 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.819 0.848 . . . . 54.51 111.074 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -45.32 86.46 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.586 0.754 . . . . 65.11 111.289 174.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 41' ' ' LEU . 37.8 t -57.39 -55.09 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 123.851 0.861 . . . . 62.2 110.823 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.63 -29.07 69.02 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.813 0.845 . . . . 74.43 111.549 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.01 90.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.123 0.569 . . . . 62.04 110.879 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.99 -26.88 62.42 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.576 -0.738 . . . . 71.45 111.253 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 51.1 mt -73.95 -30.11 62.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.944 -0.391 . . . . 73.33 109.944 174.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 48.79 50.68 25.63 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 124.624 1.107 . . . . 54.21 115.596 170.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.7 -60.28 2.83 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 117.249 0.525 . . . . 72.2 109.952 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.28 -75.99 0.1 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 109.055 -0.72 . . . . 74.22 109.055 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -134.69 171.31 14.53 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.664 0.786 . . . . 74.1 109.018 -176.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.1 mm -108.7 124.45 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.327 0.651 . . . . 34.23 109.639 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 101' ' ' GLN . 46.9 t30 -98.68 112.15 24.3 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 108.795 -0.817 . . . . 52.35 108.795 172.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.2 p -108.35 138.94 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.715 -0.846 . . . . 72.15 108.715 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 37.6 m -144.46 125.2 14.17 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 123.808 0.843 . . . . 63.34 108.859 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.52 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 12.4 m-90 -99.95 106.84 18.69 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.451 0.7 . . . . 72.23 109.24 177.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.2 -24.05 65.81 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.667 0.787 . . . . 74.33 110.397 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.46 -61.62 0.31 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.985 -1.246 . . . . 64.53 109.985 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.89 -11.75 54.93 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.836 -0.682 . . . . 74.54 110.591 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.0 m -146.11 145.59 30.58 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.569 0.748 . . . . 65.13 109.542 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.71 133.28 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 N-CA-C 108.747 -0.835 . . . . 74.31 108.747 166.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.0 m -135.02 121.07 19.92 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.115 0.566 . . . . 75.11 110.074 -174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.6 143.91 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.755 0.822 . . . . 74.12 109.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.4 168.27 24.63 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.617 1.167 . . . . 63.42 108.501 -174.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -76.05 121.09 6.11 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-O 119.961 -0.355 . . . . 53.25 112.988 -177.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 88' ' ' ASN . 5.2 tp-100 -99.93 139.17 35.98 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.468 0.634 . . . . 72.35 109.74 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.0 tt -107.99 103.83 13.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 106.393 -1.706 . . . . 71.41 106.393 168.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.07 -160.89 1.16 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.824 0.849 . . . . 75.52 109.766 -176.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.63 26.24 6.91 Favored Glycine 0 C--N 1.347 1.178 0 C-N-CA 123.013 0.34 . . . . 62.42 112.283 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.41 96.23 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 109.246 -0.65 . . . . 61.24 109.246 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 123.887 0.875 . . . . 65.22 109.124 -178.729 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 CA--C 1.55 0.964 0 CA-C-O 120.959 0.409 . . . . 75.41 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -76.56 78.42 3.25 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-O 121.492 0.663 . . . . 71.34 110.254 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -160.67 153.03 20.49 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 107.32 -1.363 . . . . 72.14 107.32 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -67.92 91.7 0.34 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.326 0.584 . . . . 61.32 110.675 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -110.17 144.4 38.87 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.767 -1.106 . . . . 72.35 109.462 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -134.97 122.71 22.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.391 0.677 . . . . 71.14 109.617 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -94.64 167.24 11.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.717 0.807 . . . . 64.41 109.909 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -62.16 -39.17 91.75 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.637 0.775 . . . . 70.44 109.35 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -71.91 110.52 6.47 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.279 -0.873 . . . . 74.44 109.958 171.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 63' ' ' ARG . . . -115.68 86.45 0.41 Allowed Glycine 0 N--CA 1.467 0.737 0 N-CA-C 109.673 -1.371 . . . . 50.1 109.673 175.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.78 145.96 54.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.571 0.748 . . . . 74.34 112.227 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.463 ' HB ' HG23 ' A' ' 31' ' ' VAL . 30.1 mt -78.2 103.45 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 114.301 -1.318 . . . . 73.33 109.374 -171.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -91.84 122.73 34.64 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 108.191 -1.04 . . . . 64.02 108.191 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG21 HD12 ' A' ' 37' ' ' LEU . 43.5 t -116.84 104.73 17.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 108.64 -0.874 . . . . 71.21 108.64 -175.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -109.0 108.2 18.84 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.981 -0.748 . . . . 75.13 108.981 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -102.82 109.98 21.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.324 -1.362 . . . . 60.15 107.324 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -103.74 118.28 36.34 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.523 -0.917 . . . . 74.31 108.523 -173.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -99.94 120.01 39.13 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.603 0.761 . . . . 73.44 109.531 -168.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -92.31 109.48 20.86 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.01 -1.478 . . . . 61.41 107.01 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 18.3 m -131.92 134.88 46.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.297 0.639 . . . . 74.14 110.491 -165.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.47 -32.12 71.89 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.176 0.59 . . . . 63.54 109.836 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.42 -139.62 10.01 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.067 -0.97 . . . . 71.43 111.646 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -69.15 124.27 23.34 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.75 0.82 . . . . 61.31 111.201 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.0 p -98.22 153.75 18.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.376 1.07 . . . . 30.35 110.9 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -150.92 173.59 14.1 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.995 1.318 . . . . 72.32 109.646 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -124.36 114.92 20.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 107.177 -1.416 . . . . 73.14 107.177 162.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -81.35 85.5 6.42 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.986 0.515 . . . . 63.31 109.881 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 36.9 m -93.65 124.48 37.68 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.256 175.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.51 164.0 16.44 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 124.711 1.205 . . . . 75.24 108.612 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.2 m -127.94 104.79 8.0 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 37' ' ' LEU . 29.0 m -109.35 157.19 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 108.696 -0.853 . . . . 70.34 108.696 173.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.0 t -114.99 -9.41 12.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.303 0.641 . . . . 64.43 109.932 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.2 m -141.71 150.28 41.63 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 124.106 0.963 . . . . 62.12 109.924 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.7 -33.51 72.63 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.719 1.208 . . . . 71.05 111.805 -175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 p -58.96 -49.41 77.96 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.516 0.51 . . . . 63.11 110.028 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -62.36 -40.37 96.19 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.054 -0.975 . . . . 74.33 110.507 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.504 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -57.44 -47.51 81.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.576 1.15 . . . . 74.5 112.047 177.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.25 -31.38 70.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.063 0.545 . . . . 75.4 111.266 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -70.42 -37.4 74.42 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.691 -0.485 . . . . 74.33 109.691 173.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.2 t -61.34 -39.19 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 O-C-N 123.724 0.64 . . . . 62.43 109.874 171.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.9 mm? -68.36 -32.99 73.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.221 0.608 . . . . 71.22 111.947 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.36 -47.97 74.58 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.551 0.74 . . . . 75.0 110.788 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.05 -39.65 65.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 115.914 -0.585 . . . . 71.22 110.73 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.69 -38.8 91.82 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.51 1.124 . . . . 43.1 110.808 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.7 ttpt -49.08 -44.26 41.85 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.15 1.38 . . . . 71.22 111.429 173.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.98 -45.21 82.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.636 -1.165 . . . . 62.35 110.718 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -63.07 -54.93 30.34 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.362 0.665 . . . . 72.24 111.825 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.31 -44.79 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 124.402 1.081 . . . . 73.24 111.128 -177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.514 ' HB2' HD22 ' A' ' 82' ' ' LEU . 80.9 tttt -68.56 -40.5 80.61 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.268 -0.878 . . . . 73.14 110.918 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.43 -44.29 71.64 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.86 0.864 . . . . 70.14 111.08 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -62.76 147.48 49.65 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.857 0.723 . . . . 73.44 110.385 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.16 69.5 1.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 111.147 -0.781 . . . . 64.25 111.147 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 59.8 m -124.5 135.53 53.28 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.836 1.254 . . . . 71.04 109.14 -173.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HB3' HD11 ' A' ' 102' ' ' LEU . 49.8 mtmt -67.34 -52.74 36.51 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 124.051 0.844 . . . . 64.44 109.325 176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 167.91 28.73 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.792 -0.64 . . . . 61.11 110.513 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.6 p -124.66 157.5 35.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.923 0.889 . . . . 54.44 109.509 173.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -127.77 109.95 12.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.785 0.834 . . . . 70.01 109.265 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.5 m -93.65 134.68 35.7 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.326 -0.62 . . . . 75.13 109.326 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.1 m -126.52 119.54 27.41 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.105 -1.072 . . . . 74.2 108.105 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.524 HG21 ' CD2' ' A' ' 71' ' ' PHE . 63.0 mt -121.2 134.16 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.786 0.834 . . . . 64.15 109.816 -173.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.2 m -59.7 122.1 13.3 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.0 0.812 . . . . 75.4 110.889 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.09 99.95 5.25 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.502 1.121 . . . . 74.0 108.414 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' HD3' ' HA3' ' A' ' 10' ' ' GLY . 68.8 mtm180 -86.18 -41.67 14.49 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.117 0.967 . . . . 72.51 109.401 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.6 p -104.31 155.23 18.93 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-N 114.9 -1.046 . . . . 73.3 109.646 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.25 -27.26 68.93 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 115.891 -0.595 . . . . 73.03 110.65 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 59.0 mmtt -64.21 -38.28 90.47 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 123.531 0.519 . . . . 60.02 111.608 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.98 -47.43 77.6 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.529 0.518 . . . . 71.34 109.744 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.56 -37.5 70.63 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 115.75 -0.659 . . . . 60.35 111.936 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -73.3 -59.55 2.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.098 0.959 . . . . 71.32 111.165 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 71' ' ' PHE . 57.0 pttt -68.27 -38.81 82.1 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.119 -0.491 . . . . 75.43 112.144 -169.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 60' ' ' ILE . 35.9 m-85 -68.28 -33.03 73.61 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.502 0.321 . . . . 74.2 110.804 176.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.422 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -58.38 -44.02 88.74 Favored 'General case' 0 N--CA 1.483 1.206 0 O-C-N 123.557 0.536 . . . . 72.54 110.403 175.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -60.92 -48.08 83.48 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.957 0.786 . . . . 72.43 110.881 176.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.02 -36.85 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 124.724 1.21 . . . . 72.42 111.174 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 95.9 mt -74.37 -46.42 40.65 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.17 0.588 . . . . 72.53 111.124 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.686 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -57.48 -37.72 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 123.461 0.704 . . . . 73.5 111.237 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 61.6 mtpt -61.36 -48.78 79.72 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.657 0.783 . . . . 60.31 110.99 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' LEU . 76.7 t -69.56 -42.26 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.014 0.925 . . . . 64.33 111.24 -177.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -69.34 -25.17 64.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.621 0.768 . . . . 73.15 112.082 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.21 77.33 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.186 0.595 . . . . 60.42 110.384 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.02 -25.54 64.54 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 115.346 -0.843 . . . . 64.32 111.158 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 49' ' ' LYS . 43.4 mt -96.08 -26.0 15.68 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.831 0.853 . . . . 64.43 111.893 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -114.68 -80.26 0.9 Allowed Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.958 -0.857 . . . . 63.54 110.958 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -171.37 -66.15 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.989 0.916 . . . . 74.2 109.087 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -176.32 -39.54 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.144 0.977 . . . . 75.33 108.83 -171.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.17 92.53 1.75 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.093 -0.958 . . . . 45.43 109.888 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.37 146.31 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.619 0.767 . . . . 73.22 109.546 -177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -87.57 110.72 20.57 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.359 -0.608 . . . . 61.05 109.359 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.686 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.1 p -105.91 126.96 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.529 -0.915 . . . . 73.13 108.529 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.5 m -141.14 113.26 7.91 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.012 -0.736 . . . . 73.5 109.012 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.2 m-90 -80.43 105.12 11.44 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 109.433 -0.58 . . . . 73.01 109.433 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.96 -27.09 68.9 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.054 0.942 . . . . 74.44 111.484 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.8 -80.24 0.33 Allowed Glycine 0 C--N 1.345 1.07 0 N-CA-C 110.232 -1.147 . . . . 43.21 110.232 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.1 -9.03 58.28 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.094 0.558 . . . . 63.21 110.836 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.8 m -142.43 144.7 33.19 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.425 1.09 . . . . 55.53 108.925 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -98.26 131.78 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 108.436 -0.95 . . . . 61.31 108.436 166.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 90.8 m -122.97 129.59 51.74 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.671 0.788 . . . . 62.13 109.716 -177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.42 130.58 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.129 0.972 . . . . 30.2 108.776 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -132.94 143.53 49.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.082 0.953 . . . . 64.01 109.695 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.57 153.83 44.81 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 111.85 -0.5 . . . . 71.42 111.85 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.56 135.35 54.0 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.014 0.526 . . . . 65.33 110.436 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.421 HD11 ' HB3' ' A' ' 54' ' ' LYS . 3.1 mm? -77.31 104.26 7.72 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 108.29 -1.004 . . . . 70.43 108.29 175.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -127.26 145.34 50.81 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.399 0.68 . . . . 72.14 110.235 -173.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.8 54.87 0.36 Allowed Glycine 0 C--N 1.347 1.144 0 N-CA-C 111.775 -0.53 . . . . 71.51 111.775 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.3 m -81.81 122.17 36.27 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 C-N-CA 123.185 0.594 . . . . 73.01 110.102 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.25 1.13 0 N-CA-C 108.359 -0.978 . . . . 73.44 108.359 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 mtm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.505 -0.554 . . . . 75.12 109.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.5 t60 58.3 42.1 22.23 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.7 1.2 . . . . 60.44 111.291 175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -112.2 2.39 16.63 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.693 0.797 . . . . 72.25 111.325 -176.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.07 -33.04 74.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.328 0.651 . . . . 75.31 111.516 -177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -70.83 135.84 48.34 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.132 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -113.27 134.05 54.79 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.096 0.558 . . . . 75.42 110.646 -173.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -147.34 -27.15 0.38 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.672 0.789 . . . . 74.21 109.728 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -63.05 -50.68 69.67 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.595 0.758 . . . . 73.22 109.388 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.522 ' HA ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 t -153.86 168.71 25.43 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.993 -1.003 . . . . 72.44 108.986 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.33 -177.81 23.37 Favored Glycine 0 C--N 1.342 0.896 0 N-CA-C 111.287 -0.725 . . . . 63.43 111.287 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.2 120.07 17.29 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.044 -0.724 . . . . 73.12 109.044 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -73.22 105.26 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 115.766 -0.652 . . . . 75.01 110.281 -172.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -85.37 111.28 19.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.88 0.872 . . . . 73.42 109.202 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -92.14 108.75 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 N-CA-C 107.984 -1.117 . . . . 72.15 107.984 174.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -101.94 111.26 23.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.757 0.823 . . . . 71.22 109.969 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -103.65 114.43 28.69 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.539 -0.912 . . . . 73.43 108.539 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . 26.4 t-20 -103.02 125.16 49.65 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.774 0.83 . . . . 74.01 109.033 174.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -143.77 123.06 13.03 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.198 -1.038 . . . . 71.45 108.198 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.646 ' H ' ' HB3' ' A' ' 55' ' ' ARG . 18.0 m -130.96 113.18 13.67 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.407 -0.96 . . . . 71.23 108.407 178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.06 -53.62 2.89 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.246 0.618 . . . . 72.33 110.399 -170.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -130.14 -71.37 0.6 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.137 0.975 . . . . 64.31 109.012 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.63 -86.13 0.09 OUTLIER Glycine 0 C--N 1.349 1.266 0 N-CA-C 111.292 -0.723 . . . . 72.35 111.292 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -76.11 141.44 41.96 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.931 0.492 . . . . 70.52 109.972 177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 t -165.62 164.64 19.14 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.807 -0.633 . . . . 73.02 110.083 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -116.13 111.2 19.91 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 123.66 0.784 . . . . 73.11 109.533 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -77.92 107.07 10.19 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.306 -0.998 . . . . 74.23 108.306 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -75.58 79.01 2.58 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.429 0.633 . . . . 64.22 110.123 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.0 m -86.58 129.14 34.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.446 -0.797 . . . . 71.3 110.183 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -111.97 149.58 31.77 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.947 0.899 . . . . 74.44 109.0 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.9 m -129.4 105.02 7.83 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.117 -1.068 . . . . 72.45 108.117 173.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.26 132.65 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 123.566 0.746 . . . . 71.41 109.671 -176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.9 t -88.89 -17.04 30.42 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.106 0.562 . . . . 61.2 110.566 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 35' ' ' SER . 24.7 m -129.32 144.36 51.2 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.86 0.864 . . . . 64.02 109.976 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.03 -24.42 67.48 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.394 1.078 . . . . 72.15 112.62 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 33' ' ' THR . 53.0 p -61.71 -52.54 63.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.775 0.43 . . . . 72.23 110.194 177.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.833 0.853 . . . . 54.24 111.609 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 60' ' ' ILE . 2.4 tt -58.52 -47.01 85.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.993 0.917 . . . . 71.03 109.451 174.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.45 ' NE2' HD21 ' A' ' 42' ' ' ASN . 22.8 tm0? -57.95 -47.63 82.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.237 -0.892 . . . . 65.2 109.837 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.67 -50.72 71.36 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.135 0.574 . . . . 73.2 111.272 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.407 HG23 HD22 ' A' ' 41' ' ' LEU . 34.4 m -60.83 -24.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 N-CA-C 112.458 0.54 . . . . 62.23 112.458 -171.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.601 ' HG ' HG22 ' A' ' 74' ' ' ILE . 4.4 mm? -78.37 -36.43 46.01 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.031 0.532 . . . . 74.43 111.86 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.45 HD21 ' NE2' ' A' ' 38' ' ' GLN . 50.9 m-80 -64.32 -41.54 96.76 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 110.002 -0.37 . . . . 65.45 110.002 175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -70.96 -44.49 65.96 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.763 0.664 . . . . 65.53 109.641 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.01 -40.25 76.28 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.103 0.961 . . . . 70.51 111.822 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 81' ' ' GLU . 36.3 ttpt -54.82 -37.39 66.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.052 0.845 . . . . 73.54 111.483 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.68 -47.92 81.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.683 0.793 . . . . 42.44 110.481 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -65.07 -41.98 94.6 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.859 0.724 . . . . 73.25 111.39 -177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.44 -41.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.291 0.636 . . . . 70.2 110.456 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -79.93 -19.98 46.78 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.735 0.414 . . . . 70.2 111.315 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -68.4 -42.57 78.83 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.355 0.598 . . . . 71.11 109.608 173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -89.06 116.27 27.21 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.016 -0.993 . . . . 52.24 110.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.17 70.01 1.05 Allowed Glycine 0 N--CA 1.471 0.977 0 N-CA-C 111.391 -0.684 . . . . 52.34 111.391 173.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.7 157.18 16.29 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 123.719 0.808 . . . . 62.33 110.629 -168.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -94.94 -6.74 41.83 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.317 0.647 . . . . 72.52 111.461 -175.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.646 ' HB3' ' H ' ' A' ' 19' ' ' THR . 15.0 tpp180 -136.59 124.09 22.18 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.623 0.769 . . . . 74.23 109.03 175.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.1 p -125.06 108.78 12.17 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.066 -1.087 . . . . 74.44 108.066 170.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 37.5 ttm180 -133.9 132.73 40.63 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 107.556 -1.275 . . . . 74.22 107.556 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.4 m -140.64 145.19 36.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.665 -0.865 . . . . 70.2 108.665 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -145.17 157.1 44.17 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.932 0.893 . . . . 72.23 109.115 -168.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.418 HD13 HD21 ' A' ' 37' ' ' LEU . 81.1 mt -143.15 131.51 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.91 0.884 . . . . 54.41 109.24 -174.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.8 m -62.14 136.4 57.93 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 123.578 0.549 . . . . 64.44 110.804 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.17 103.75 4.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.045 0.938 . . . . 63.35 109.203 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' HG3' ' HA ' ' A' ' 9' ' ' SER . 11.5 mmm180 -65.9 -28.25 68.8 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-O 121.011 0.434 . . . . 73.54 110.613 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.0 p -130.89 160.86 33.22 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 124.013 0.925 . . . . 64.21 109.375 172.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 31.9 ttpt -64.79 -30.06 71.05 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 122.608 0.363 . . . . 72.23 110.817 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -34.78 71.74 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 117.95 0.341 . . . . 71.54 110.576 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 42.0 mt-10 -68.86 -43.13 76.05 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.686 -0.688 . . . . 62.02 110.422 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.05 -29.26 69.63 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.298 0.639 . . . . 42.32 112.215 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 8.4 mm-40 -78.55 -52.51 8.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.934 0.494 . . . . 73.32 111.101 -178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 59.3 pttt -67.29 -29.98 69.72 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 121.027 0.441 . . . . 64.11 111.335 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 19.6 m-30 -89.03 -17.73 28.77 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.396 0.678 . . . . 72.11 112.4 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.98 -43.82 82.05 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.036 -0.728 . . . . 74.14 109.036 172.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -36.89 74.99 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.14 -0.936 . . . . 64.33 112.032 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.601 HG22 ' HG ' ' A' ' 41' ' ' LEU . 63.1 mt -62.25 -38.09 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 123.918 0.887 . . . . 73.24 110.735 178.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.68 -39.93 56.76 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.183 0.593 . . . . 74.24 111.173 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.13 -35.57 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 123.858 0.863 . . . . 73.42 111.063 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -59.02 -33.25 70.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.514 0.726 . . . . 55.23 111.856 177.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG21 HD12 ' A' ' 41' ' ' LEU . 91.9 t -72.98 -57.58 6.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.442 0.697 . . . . 72.02 110.411 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -70.83 -21.85 62.4 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 112.861 0.689 . . . . 61.13 112.861 -173.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.25 -32.67 74.24 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.926 0.491 . . . . 70.24 110.442 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 7.3 mm-40 -87.1 -18.15 31.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.414 0.685 . . . . 73.03 111.326 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.3 mt -87.59 -12.61 45.14 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.174 0.59 . . . . 72.24 111.476 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.46 -154.95 7.56 Favored Glycine 0 C--N 1.352 1.419 0 C-N-CA 121.933 -0.175 . . . . 54.33 113.478 178.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -97.48 -61.07 1.45 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.713 0.805 . . . . 74.51 109.357 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -145.36 44.31 1.31 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.889 1.328 . . . . 73.34 107.867 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.85 28.83 0.76 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 113.891 -1.504 . . . . 73.42 111.075 -175.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.2 mm -84.79 119.76 34.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.224 -1.028 . . . . 74.34 108.224 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.1 t30 -124.37 104.15 8.61 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.859 -1.163 . . . . 64.45 107.859 171.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.56 139.12 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 109.524 -0.546 . . . . 73.23 109.524 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.7 m -146.05 129.22 16.62 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.804 1.242 . . . . 74.12 108.011 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 28.9 m-90 -102.58 112.09 24.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 71.23 109.443 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.66 0.47 55.63 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.889 0.876 . . . . 72.32 110.856 177.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.93 -78.63 1.0 Allowed Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.874 -0.89 . . . . 63.31 110.874 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 -17.07 61.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.867 0.867 . . . . 63.02 111.275 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.9 m -145.55 146.23 31.32 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.877 0.871 . . . . 73.22 109.764 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.26 140.64 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.975 -0.75 . . . . 62.21 108.975 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.9 m -133.47 125.12 28.3 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.319 0.648 . . . . 54.25 110.26 -175.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' A' ' 88' ' ' ASN . 96.8 t -117.38 123.78 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 62.01 109.494 170.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -114.75 166.27 11.93 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 124.488 1.115 . . . . 75.33 108.607 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.8 130.89 10.48 Favored Glycine 0 C--N 1.346 1.126 0 CA-C-O 119.747 -0.474 . . . . 73.31 112.682 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' HG3' ' HB2' ' A' ' 88' ' ' ASN . 97.0 mt-30 -116.06 107.68 15.25 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.279 0.632 . . . . 64.3 109.311 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.17 103.93 12.13 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.687 -1.227 . . . . 63.54 107.687 173.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.01 120.73 22.52 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 108.483 -0.932 . . . . 62.32 108.483 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.78 90.86 0.25 Allowed Glycine 0 C--N 1.349 1.267 0 O-C-N 123.807 0.692 . . . . 75.25 112.205 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.6 153.59 8.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.888 0.875 . . . . 74.43 110.993 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.798 -0.62 . . . . 63.13 109.935 179.525 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 108.687 -0.857 . . . . 53.31 108.687 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -77.55 136.33 38.28 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 108.788 -0.819 . . . . 64.44 108.788 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -101.81 -173.78 2.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.263 0.625 . . . . 73.45 110.245 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 7' ' ' HIS . 21.2 m170 -64.73 141.41 58.78 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.499 -0.773 . . . . 75.44 109.101 171.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -70.36 -26.56 63.79 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.425 0.69 . . . . 71.45 111.377 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -79.27 -24.04 43.22 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.32 0.648 . . . . 75.0 110.505 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 4' ' ' HIS . 50.7 t60 -74.11 -9.95 59.13 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.515 0.726 . . . . 62.55 110.917 178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -69.26 -5.36 22.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.115 0.566 . . . . 75.1 111.777 173.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -86.96 93.73 9.41 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 108.367 -0.975 . . . . 51.02 108.367 168.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.28 171.34 43.92 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.331 -0.395 . . . . 32.5 112.788 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.02 153.41 43.79 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.305 1.042 . . . . 54.11 111.927 -175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.583 HG21 HD22 ' A' ' 37' ' ' LEU . 55.7 mt -88.86 107.71 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 115.295 -0.866 . . . . 72.11 109.82 -177.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -81.87 141.51 33.33 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.952 0.501 . . . . 75.34 110.182 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 29' ' ' TYR . 47.8 t -128.28 127.62 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.122 0.969 . . . . 73.23 109.33 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -135.06 118.14 16.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.371 0.668 . . . . 62.4 110.509 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.766 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 25.3 t-20 -105.16 113.0 26.33 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.78 -1.193 . . . . 63.03 107.78 168.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -106.59 123.76 48.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.672 -0.862 . . . . 75.24 108.672 176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 56' ' ' SER . 51.7 t-20 -136.2 116.6 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.439 -1.319 . . . . 70.15 107.439 -176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.5 m -93.62 109.58 21.2 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.074 -1.084 . . . . 71.43 108.074 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.4 t -171.74 107.48 0.23 Allowed 'General case' 0 C--N 1.351 0.639 0 O-C-N 123.902 0.752 . . . . 61.42 108.973 -171.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -66.03 153.41 42.29 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.493 0.717 . . . . 61.13 110.128 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.21 -38.84 3.13 Favored Glycine 0 N--CA 1.471 1.005 0 N-CA-C 110.095 -1.202 . . . . 61.13 110.095 -167.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.5 99.46 0.7 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 71.04 109.047 170.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.1 p -97.0 62.79 1.86 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.915 0.886 . . . . 73.41 109.637 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -100.09 135.32 41.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.374 0.669 . . . . 75.42 110.684 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -95.83 123.34 39.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.136 0.974 . . . . 73.11 109.852 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.766 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.9 m-85 -90.65 80.69 5.93 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.438 0.637 . . . . 74.11 109.937 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 m -93.18 121.05 34.14 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.781 -1.099 . . . . 72.24 109.629 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' HB2' ' HB ' ' A' ' 14' ' ' VAL . 75.6 m-85 -132.62 155.97 47.76 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.74 0.816 . . . . 61.33 108.934 176.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.4 m -130.87 106.89 8.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 107.615 -1.254 . . . . 51.41 107.615 169.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 12' ' ' ILE . 19.6 m -103.26 133.17 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.221 0.609 . . . . 75.35 109.477 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.3 t -86.7 -12.25 48.86 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.587 -0.733 . . . . 73.05 111.43 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 35' ' ' SER . 31.3 m -140.73 149.24 41.91 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.321 0.648 . . . . 61.41 110.014 -174.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.98 -28.28 67.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.176 0.99 . . . . 73.22 110.628 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.583 ' H ' HG22 ' A' ' 33' ' ' THR . 11.5 m -64.26 -48.07 77.15 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.179 0.992 . . . . 53.52 110.131 175.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.35 -30.13 70.94 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.47 0.708 . . . . 74.35 110.851 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.583 HD22 HG21 ' A' ' 12' ' ' ILE . 37.4 tp -67.74 -38.76 83.97 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.629 0.772 . . . . 71.42 111.142 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -64.77 -51.72 60.75 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.218 -0.66 . . . . 63.32 109.218 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -57.86 -46.24 85.12 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.677 1.191 . . . . 54.12 112.305 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.86 -35.36 69.07 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 CA-C-O 119.136 -0.459 . . . . 45.04 110.532 -176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.594 HD12 HG21 ' A' ' 78' ' ' VAL . 3.4 mm? -73.97 -29.65 62.1 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.022 0.529 . . . . 54.43 111.731 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.29 -47.74 84.26 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 123.65 0.593 . . . . 62.31 109.839 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -79.99 -32.72 39.76 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.531 0.52 . . . . 72.15 111.598 176.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 30.0 tp -61.33 -28.85 69.51 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.187 0.595 . . . . 74.31 110.758 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -46.38 -46.34 18.41 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.978 1.311 . . . . 74.24 112.654 173.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 31.2 t70 -65.25 -42.65 93.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.596 1.159 . . . . 70.42 110.956 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB2' HD12 ' A' ' 44' ' ' LEU . 96.1 m-85 -66.25 -44.38 83.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.078 0.951 . . . . 74.3 111.797 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.75 -40.05 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.717 1.207 . . . . 72.01 109.947 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -67.41 -29.0 68.38 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.969 0.907 . . . . 71.14 111.718 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 65.1 mttm -61.99 -44.11 97.43 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.322 0.649 . . . . 73.54 110.744 175.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -101.23 0.96 38.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.995 0.918 . . . . 71.21 111.707 -176.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.4 58.37 5.0 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 122.894 0.283 . . . . 63.2 112.872 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 p -73.37 -43.86 59.81 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.388 0.675 . . . . 41.21 110.603 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -113.06 -70.81 0.78 Allowed 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.432 0.693 . . . . 61.31 109.763 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -154.28 159.74 41.41 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.058 0.543 . . . . 73.34 110.881 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.471 ' HB3' ' ND2' ' A' ' 18' ' ' ASN . 32.9 p -131.76 143.23 50.08 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.777 0.831 . . . . 64.11 108.935 172.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 ttp-105 -120.82 110.13 15.97 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.382 1.073 . . . . 73.25 108.608 -175.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -107.43 118.25 36.24 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.731 -0.47 . . . . 72.04 109.731 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -109.71 120.47 42.59 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.901 0.881 . . . . 65.01 108.944 175.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.423 HD13 HD11 ' A' ' 37' ' ' LEU . 64.3 mt -112.59 127.83 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 108.835 -0.802 . . . . 74.13 108.835 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -66.73 101.57 0.82 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.138 0.575 . . . . 70.41 109.575 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 67' ' ' GLU . . . -99.73 121.55 41.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.652 -1.24 . . . . 64.03 107.652 174.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.0 -30.38 69.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.839 -0.619 . . . . 74.41 112.56 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 67' ' ' GLU . 69.3 p -131.61 170.96 14.03 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.891 . . . . 43.34 108.859 171.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -28.28 69.45 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.683 171.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -58.89 -44.67 91.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.369 1.067 . . . . 72.13 110.228 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.591 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 21.7 mm-40 -64.84 -42.33 95.0 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.757 -0.656 . . . . 74.11 110.081 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 91' ' ' TRP . . . -64.48 -24.62 67.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.5 0.926 . . . . 71.54 113.5 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.83 -48.81 34.68 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.31 0.644 . . . . 61.21 111.853 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 52.6 pttt -77.52 -25.42 50.22 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.997 -0.547 . . . . 71.03 111.036 -175.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 13.4 m-30 -86.0 -19.44 30.36 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.736 0.415 . . . . 74.21 110.993 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.504 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.07 -46.03 90.91 Favored 'General case' 0 C--O 1.205 -1.289 0 N-CA-C 108.158 -1.052 . . . . 61.1 108.158 164.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.65 82.71 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.066 0.547 . . . . 43.52 112.355 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.42 HG22 ' HG ' ' A' ' 41' ' ' LEU . 48.2 mt -58.32 -49.25 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 C-N-CA 123.923 0.889 . . . . 73.22 110.981 176.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -71.91 -40.76 68.59 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.541 0.736 . . . . 73.12 112.386 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 89' ' ' VAL . 1.3 mp -63.53 -34.66 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.593 0.757 . . . . 70.3 110.371 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -47.29 86.34 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.379 0.672 . . . . 61.42 110.368 175.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.594 HG21 HD12 ' A' ' 41' ' ' LEU . 49.8 t -56.62 -61.06 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 124.311 1.007 . . . . 62.44 111.246 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -67.63 -30.23 69.75 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.2 0.6 . . . . 71.22 112.421 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.95 85.76 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.762 0.425 . . . . 75.42 110.715 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.77 -37.01 82.74 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 115.175 -0.92 . . . . 74.24 110.721 172.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 77.7 mt -69.65 -25.29 63.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.278 0.631 . . . . 71.22 112.054 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.41 -108.02 0.29 Allowed Glycine 0 C--N 1.346 1.129 0 CA-C-O 120.054 -0.303 . . . . 62.12 112.658 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -108.82 155.02 21.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.669 0.788 . . . . 73.42 109.76 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -80.27 63.94 4.92 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.429 1.091 . . . . 74.04 111.335 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -161.15 95.63 1.05 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 107.491 -1.3 . . . . 65.54 107.491 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.565 ' HB ' HG13 ' A' ' 76' ' ' ILE . 23.1 mm -119.72 147.49 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 C-N-CA 123.07 0.548 . . . . 75.43 110.838 -163.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -88.62 118.03 28.0 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.281 0.632 . . . . 73.32 109.946 -177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 76' ' ' ILE . 3.9 t -115.81 133.84 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.206 1.002 . . . . 61.43 109.408 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.9 m -141.87 124.67 16.04 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.597 -0.89 . . . . 73.44 108.597 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.402 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 19.3 m-90 -98.7 148.05 24.25 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 109.587 -0.523 . . . . 73.5 109.587 174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -152.59 113.46 4.15 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.58 -0.896 . . . . 72.02 108.58 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.02 46.46 92.56 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 116.065 -0.516 . . . . 72.4 112.911 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 7.8 m-20 65.54 7.99 4.77 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.086 1.354 . . . . 72.11 113.267 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.0 m -96.96 126.36 42.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.401 -0.963 . . . . 71.34 108.401 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -90.96 108.73 20.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-O 121.727 0.775 . . . . 75.34 109.394 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.1 m -107.52 105.29 15.12 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 114.604 -1.18 . . . . 71.15 109.194 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 68.3 t -111.73 110.35 31.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 C-N-CA 123.866 0.866 . . . . 72.13 108.855 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 56' ' ' SER . 41.2 tt0 -115.75 117.49 30.39 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 123.57 0.748 . . . . 64.04 109.858 -177.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 59.45 -155.96 27.45 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.93 0.769 . . . . 75.2 113.22 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -106.16 164.93 11.6 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.91 0.884 . . . . 71.1 109.32 171.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 tp -69.27 103.31 1.92 Allowed 'General case' 0 CA--C 1.541 0.604 0 O-C-N 123.506 0.504 . . . . 62.24 109.828 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -81.33 -35.61 30.74 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.422 -0.808 . . . . 43.32 109.943 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.37 83.08 1.64 Allowed Glycine 0 C--N 1.349 1.282 0 N-CA-C 110.819 -0.913 . . . . 75.43 110.819 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.1 t -72.1 78.8 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 C-N-CA 124.364 1.066 . . . . 75.53 109.479 -173.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 124.481 1.113 . . . . 73.25 108.029 -173.41 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 109.661 -0.496 . . . . 75.01 109.661 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -69.57 97.08 0.99 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.888 0.475 . . . . 64.41 109.891 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -70.62 147.92 48.66 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.205 -0.907 . . . . 74.44 112.212 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -120.63 115.26 23.03 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.643 0.777 . . . . 74.24 109.103 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -147.14 -62.22 0.28 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.708 0.803 . . . . 73.41 109.423 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -127.74 50.86 1.99 Allowed 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.457 0.646 . . . . 74.42 110.31 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -99.67 29.99 3.84 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.196 -0.911 . . . . 73.55 108.784 172.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -157.22 140.93 15.92 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.053 -1.091 . . . . 74.52 108.053 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.0 t -67.61 172.55 5.03 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.741 0.816 . . . . 73.11 111.433 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.18 66.34 2.57 Favored Glycine 0 C--N 1.347 1.15 0 N-CA-C 111.238 -0.745 . . . . 71.42 111.238 172.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.46 119.98 18.44 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.747 0.819 . . . . 65.23 109.566 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 37' ' ' LEU . 44.9 mt -80.93 103.22 7.64 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.496 -1.229 . . . . 71.41 108.999 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' H ' ' HB ' ' A' ' 61' ' ' THR . 60.7 tt0 -87.38 113.32 22.98 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.567 0.747 . . . . 75.42 109.222 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -92.53 106.55 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 124.373 1.069 . . . . 71.1 108.257 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -108.47 143.13 37.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.918 0.887 . . . . 72.13 109.178 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.56 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.9 t-20 -146.15 116.35 7.43 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 108.123 -1.066 . . . . 73.45 108.123 175.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -101.95 111.85 24.26 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.343 1.057 . . . . 71.51 108.308 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -97.99 116.94 31.24 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.994 -1.113 . . . . 70.44 107.994 -175.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 m -103.85 114.3 28.46 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 109.903 -0.406 . . . . 64.12 109.903 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.9 m -130.82 -78.32 0.53 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.687 0.795 . . . . 74.31 110.135 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -167.84 133.4 1.94 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 109.028 -0.73 . . . . 73.42 109.028 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.73 -90.74 0.21 Allowed Glycine 0 C--N 1.346 1.102 0 O-C-N 123.66 0.6 . . . . 61.4 112.461 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.3 142.37 24.01 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.186 0.594 . . . . 75.2 110.541 -177.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -129.52 172.28 11.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.468 1.107 . . . . 65.23 110.251 -178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -92.82 90.34 6.98 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 123.453 0.701 . . . . 75.02 109.172 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -73.19 135.26 44.58 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.071 -0.968 . . . . 71.32 110.235 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 81.1 m-85 -81.67 129.49 34.72 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.5 0.72 . . . . 71.4 111.077 -173.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.7 m -139.44 122.08 16.34 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.356 0.662 . . . . 64.42 110.423 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -123.04 156.05 35.63 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.33 1.052 . . . . 73.21 108.783 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.3 m -132.45 112.2 11.93 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.968 -0.752 . . . . 75.3 108.968 172.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -116.11 143.16 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 109.067 -0.716 . . . . 73.4 109.067 176.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.5 t -104.02 16.07 27.1 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.061 0.544 . . . . 65.3 109.671 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.565 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 9.3 m -145.63 142.16 28.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.103 0.561 . . . . 61.31 109.976 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -76.39 -31.65 58.1 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.431 1.092 . . . . 73.04 111.007 -172.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.2 p -62.41 -38.46 89.77 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.385 -0.825 . . . . 71.15 110.42 177.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.565 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 29.1 mm-40 -67.1 -23.98 65.89 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.507 -0.77 . . . . 74.24 111.968 -176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 12' ' ' ILE . 65.3 mt -59.08 -42.68 91.0 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.469 0.708 . . . . 74.32 111.187 171.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -59.6 -53.93 52.37 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.319 0.647 . . . . 73.32 110.245 -176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.68 -45.73 88.77 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 122.527 0.331 . . . . 74.24 111.595 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 37' ' ' LEU . 3.2 p -72.81 -22.27 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 116.53 -0.304 . . . . 74.51 111.303 -171.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 78' ' ' VAL . 3.9 mm? -84.58 -22.58 30.0 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.078 0.551 . . . . 70.32 111.812 173.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -64.3 -49.45 71.73 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 122.869 0.467 . . . . 65.44 110.241 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.31 -46.63 69.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.708 -0.678 . . . . 73.12 110.712 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -63.72 -28.64 70.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.678 0.791 . . . . 72.15 111.892 -173.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG3' HD21 ' A' ' 82' ' ' LEU . 19.6 ttpp -49.77 -51.11 41.6 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.8 1.24 . . . . 62.13 112.251 175.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.51 -31.18 63.57 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.181 -0.918 . . . . 63.5 111.409 -176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -70.68 -44.48 66.92 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.052 0.541 . . . . 71.04 110.793 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.53 -40.45 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.625 1.17 . . . . 72.14 110.123 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HB2' HD22 ' A' ' 82' ' ' LEU . 87.6 tttt -56.4 -48.61 76.57 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.071 0.948 . . . . 70.4 111.262 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -72.55 -44.34 62.26 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 114.772 -1.104 . . . . 63.55 111.156 -177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -82.1 -5.37 58.36 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 124.01 0.924 . . . . 75.51 111.093 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.56 75.06 2.02 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.355 -0.698 . . . . 63.53 111.355 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 m -61.03 -39.18 88.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.14 0.976 . . . . 71.2 111.272 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -145.88 -60.7 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.648 -0.706 . . . . 63.13 109.327 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -138.15 154.67 49.17 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.187 0.595 . . . . 75.23 111.082 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 p -138.44 117.02 12.12 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.429 1.091 . . . . 72.13 109.594 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 99' ' ' GLU . 31.1 ttp-105 -92.84 109.17 20.6 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.648 0.779 . . . . 71.43 110.128 -174.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -97.89 145.62 26.25 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.4 0.68 . . . . 74.42 109.364 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.5 t -145.33 132.47 20.42 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.9 0.88 . . . . 64.24 108.688 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -121.26 130.58 74.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.969 0 C-N-CA 123.54 0.736 . . . . 72.1 109.048 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.417 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 49.0 m -73.24 111.98 8.86 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.196 0.935 . . . . 74.12 110.212 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 94' ' ' ASP . . . -113.13 160.69 17.95 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 106.107 -1.812 . . . . 75.14 106.107 169.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 63' ' ' ARG . 2.5 mmp_? -104.77 -32.36 8.89 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 121.715 -0.616 . . . . 72.33 109.873 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.9 p -126.02 161.88 26.54 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 124.451 1.1 . . . . 65.1 108.785 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -67.86 -26.81 66.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.735 0.414 . . . . 74.53 111.561 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -63.23 -29.85 71.11 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.624 0.77 . . . . 54.44 110.606 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.3 mt-10 -83.25 -33.71 25.99 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.048 -0.524 . . . . 74.54 110.657 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.97 71.37 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 122.854 0.462 . . . . 64.55 111.758 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.33 -38.32 56.11 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.833 0.453 . . . . 70.32 111.454 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 65.4 pttt -75.34 -26.57 58.71 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 120.993 0.425 . . . . 75.04 110.614 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -88.66 -18.06 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.139 0.576 . . . . 75.12 111.497 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.78 -44.78 96.35 Favored 'General case' 0 C--O 1.216 -0.7 0 N-CA-C 108.224 -1.028 . . . . 71.54 108.224 165.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.9 78.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.403 -0.817 . . . . 72.23 111.646 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.79 -57.75 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.56 0.744 . . . . 64.53 111.114 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.94 -37.86 87.15 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.632 0.975 . . . . 72.31 113.632 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 72' ' ' ALA . 1.7 mp -68.5 -37.28 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.5 0.72 . . . . 74.22 110.476 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -45.98 77.01 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.279 0.632 . . . . 51.22 110.978 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 41' ' ' LEU . 54.6 t -60.06 -53.75 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.977 0.911 . . . . 75.21 110.936 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' HB3' HD12 ' A' ' 87' ' ' ILE . 19.5 m-85 -72.44 -17.68 61.76 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.607 -0.724 . . . . 72.22 112.381 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.3 -37.41 80.6 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 120.957 0.408 . . . . 72.31 110.382 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.1 -25.83 61.02 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.874 -0.603 . . . . 52.05 110.898 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 49' ' ' LYS . 47.0 mt -83.06 -23.76 33.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.049 0.54 . . . . 73.45 111.13 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -133.2 -113.39 1.42 Allowed Glycine 0 C--N 1.343 0.944 0 N-CA-C 110.93 -0.868 . . . . 51.31 110.93 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -152.6 -71.36 0.15 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.821 -0.807 . . . . 74.0 108.821 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -155.44 19.11 0.41 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.52 1.128 . . . . 73.35 108.705 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -85.4 36.08 0.63 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.019 1.328 . . . . 75.14 111.126 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 79' ' ' TYR . 15.4 mm -98.11 109.67 24.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.483 -0.78 . . . . 73.14 109.472 -169.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -89.62 125.17 35.13 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.839 -0.8 . . . . 70.32 108.839 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 t -110.48 144.99 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.392 1.077 . . . . 71.45 109.652 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 97' ' ' THR . 90.4 m -128.69 132.53 48.03 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.487 1.115 . . . . 74.23 108.339 170.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -113.71 99.82 8.0 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.35 -0.981 . . . . 74.12 108.35 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.93 68.65 1.28 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.888 0.851 . . . . 64.05 109.155 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.55 -97.19 0.23 Allowed Glycine 0 C--N 1.349 1.261 0 CA-C-N 114.177 -1.374 . . . . 71.42 113.556 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 9.1 p-10 -92.3 -8.09 46.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 53.15 110.986 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.3 m -115.33 120.08 38.44 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.924 -0.485 . . . . 63.33 109.882 -176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.4 p -94.21 130.99 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.38 -0.6 . . . . 71.42 109.38 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 90' ' ' THR . 54.4 m -128.38 137.47 51.89 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.278 1.031 . . . . 64.12 110.149 -171.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -134.64 114.2 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 124.146 0.978 . . . . 73.35 109.798 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 57' ' ' ARG . 35.6 tt0 -153.02 139.57 18.74 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.465 1.106 . . . . 74.23 110.095 177.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.05 172.36 24.29 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 115.236 0.855 . . . . 64.42 115.236 161.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -104.97 124.76 50.07 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.497 1.519 . . . . 60.44 110.287 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.9 tt -75.41 101.18 4.7 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 107.604 -1.258 . . . . 62.22 107.604 173.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -93.56 99.99 12.34 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.634 0.774 . . . . 73.12 109.184 179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.24 79.75 0.04 OUTLIER Glycine 0 C--N 1.34 0.767 0 N-CA-C 111.001 -0.84 . . . . 72.4 111.001 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.9 m -70.42 145.33 12.92 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.848 0.459 . . . . 64.02 111.029 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 124.201 1.0 . . . . 71.21 110.554 -179.249 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 121.47 0.652 . . . . 75.41 109.753 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.403 ' HB3' ' NE2' ' A' ' 4' ' ' HIS . 86.0 m-70 -134.45 81.83 1.93 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.46 0.704 . . . . 72.31 109.57 -178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -67.15 87.22 0.16 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.603 0.761 . . . . 65.42 109.816 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 2' ' ' HIS . 56.3 m170 -88.28 126.69 35.3 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.591 -0.732 . . . . 71.01 109.805 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -170.66 155.27 4.79 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 124.396 1.06 . . . . 72.14 108.662 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -68.66 145.49 53.84 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 123.533 0.521 . . . . 74.0 109.673 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -150.02 106.98 3.56 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.881 -0.785 . . . . 51.43 108.881 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -84.94 132.4 34.37 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 114.933 -1.03 . . . . 53.51 108.929 173.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.511 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 32.4 m -144.25 93.2 2.41 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.289 -0.634 . . . . 73.01 109.289 175.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.75 -142.15 47.48 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 115.229 -0.896 . . . . 71.22 113.626 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.38 140.86 29.09 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.082 0.953 . . . . 73.15 110.319 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.602 HG21 HD11 ' A' ' 37' ' ' LEU . 32.1 mt -107.86 105.37 18.66 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.038 -1.097 . . . . 75.43 108.038 175.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' A' ' 15' ' ' GLN . 6.3 tp-100 -87.9 120.47 29.27 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.22 0.608 . . . . 73.53 110.422 -179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' THR . 41.9 t -96.12 125.17 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 107.971 -1.122 . . . . 70.42 107.971 173.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' HG3' ' HG3' ' A' ' 13' ' ' GLN . 54.8 mt-30 -133.02 153.12 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.13 0.972 . . . . 72.31 109.471 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.615 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 28.5 t-20 -144.79 151.26 38.55 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.657 0.783 . . . . 52.31 109.715 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.46 108.82 8.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.058 -1.09 . . . . 73.53 108.058 177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -101.66 121.43 42.02 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.026 -0.731 . . . . 73.1 109.026 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 p -94.24 112.1 23.88 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 107.641 -1.244 . . . . 75.44 107.641 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 t -168.78 155.77 7.26 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.241 -0.89 . . . . 74.44 109.762 -170.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.97 -15.7 61.54 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.276 0.63 . . . . 74.44 110.734 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.29 -160.79 4.1 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 115.722 -0.672 . . . . 51.11 112.437 169.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -84.51 144.44 28.7 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 122.551 -0.382 . . . . 70.03 111.745 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.5 p -75.22 83.79 2.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.658 1.183 . . . . 71.43 110.723 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -77.68 104.84 8.46 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.24 -0.891 . . . . 73.4 109.199 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.72 -28.12 67.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.391 -0.822 . . . . 64.35 110.922 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.615 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 21.4 m-85 48.06 36.5 6.49 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.074 0.95 . . . . 74.3 111.627 -178.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 90.6 m -86.04 116.85 24.51 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.329 -0.851 . . . . 74.23 109.72 -173.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -132.02 122.49 25.58 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.021 -1.103 . . . . 64.23 108.021 -178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -94.61 106.83 18.82 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.533 -0.914 . . . . 63.34 108.533 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' HB ' ' A' ' 12' ' ' ILE . 26.3 m -100.73 173.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 N-CA-C 108.228 -1.027 . . . . 72.24 108.228 172.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -135.17 -9.85 2.26 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 122.902 0.481 . . . . 72.51 110.734 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.631 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.2 m -117.41 142.78 46.72 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.932 0.893 . . . . 50.01 109.119 -177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.28 -33.44 75.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.84 0.856 . . . . 74.21 110.407 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.4 m -59.31 -38.58 80.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.187 0.995 . . . . 54.33 112.0 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.2 mt-10 -65.37 -28.84 69.56 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.361 -0.836 . . . . 72.13 111.91 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD11 HG21 ' A' ' 12' ' ' ILE . 73.1 mt -60.46 -40.81 92.54 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.657 0.598 . . . . 74.53 111.247 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.35 -30.34 71.39 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 122.727 0.411 . . . . 62.41 111.218 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -57.52 3.8 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.885 0.874 . . . . 52.54 110.7 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.29 -27.75 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.591 0.756 . . . . 73.22 111.821 -171.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.538 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.0 mm? -75.27 -37.96 60.69 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.146 0.578 . . . . 72.32 111.752 177.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -69.75 -35.3 74.83 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.062 0.545 . . . . 72.42 112.037 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 -40.05 55.27 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 110.279 -0.267 . . . . 73.02 110.279 175.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.47 -28.26 69.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.348 1.059 . . . . 64.52 111.378 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HB2' HG13 ' A' ' 78' ' ' VAL . 38.2 ttpt -48.02 -51.17 25.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.439 1.495 . . . . 71.22 112.034 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.53 -28.89 65.28 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.849 0.86 . . . . 74.45 112.559 -176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -69.81 -55.08 10.79 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.827 0.451 . . . . 70.22 110.379 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 56' ' ' SER . 65.5 mt -61.74 -32.13 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 124.471 1.108 . . . . 51.51 111.058 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -57.59 -51.61 68.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.729 1.212 . . . . 64.32 110.923 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -79.45 -32.53 42.74 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.451 -1.25 . . . . 72.13 110.845 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -92.5 179.55 5.49 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.659 0.783 . . . . 63.34 112.36 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.81 106.03 0.21 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.827 -1.079 . . . . 43.02 112.134 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.2 m -64.54 -39.32 93.55 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.743 0.782 . . . . 72.31 108.918 170.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -150.78 0.43 Allowed 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.532 -1.213 . . . . 72.34 107.857 166.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.54 125.95 42.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.703 -0.623 . . . . 74.45 109.452 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.518 ' HB2' HG23 ' A' ' 48' ' ' ILE . 15.2 m -74.7 120.05 19.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.714 0.806 . . . . 75.42 110.421 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 42.0 ttm180 -92.28 115.04 27.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.329 1.052 . . . . 70.22 110.621 -171.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -102.48 143.05 32.69 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.289 0.636 . . . . 73.2 110.868 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.0 m -134.13 120.65 20.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.578 1.151 . . . . 75.12 109.13 174.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.473 HD11 HD21 ' A' ' 41' ' ' LEU . 47.9 mt -107.93 136.62 42.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 C-N-CA 124.076 0.95 . . . . 75.34 108.909 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 92.3 m -62.94 117.89 7.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.256 0.55 . . . . 51.52 111.779 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.45 160.82 17.38 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.569 1.148 . . . . 74.01 108.469 168.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 9' ' ' SER . 16.1 mmt180 -116.85 -77.3 0.57 Allowed 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 108.852 -0.796 . . . . 64.15 108.852 178.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.1 p -84.67 160.25 20.39 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.706 -0.85 . . . . 72.41 108.706 172.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.45 -19.5 62.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.343 0.657 . . . . 71.42 111.303 -177.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -44.84 80.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.198 0.599 . . . . 74.03 110.276 169.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 44.4 mt-10 -68.03 -28.69 67.62 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.474 -0.785 . . . . 73.12 110.695 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.425 ' O ' HG11 ' A' ' 96' ' ' VAL . . . -67.96 -33.56 74.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.241 -0.891 . . . . 72.42 111.154 175.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 65' ' ' LYS . 42.3 mt-10 -70.17 -49.77 47.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.933 0.493 . . . . 73.01 111.394 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 67' ' ' GLU . 21.8 pttp -69.09 -30.59 68.93 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 116.346 -0.388 . . . . 73.11 112.043 -175.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 14.0 m-30 -89.01 -19.72 25.31 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.215 0.45 . . . . 74.33 112.215 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -62.75 -42.96 99.92 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.951 -0.759 . . . . 55.53 108.951 166.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -58.45 -41.64 85.59 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 115.652 -0.704 . . . . 74.43 111.333 177.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 37' ' ' LEU . 68.4 mt -58.74 -38.71 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 124.123 0.969 . . . . 64.33 111.318 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 79' ' ' TYR . 24.3 mt -66.42 -55.36 16.1 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.42 -0.809 . . . . 52.3 111.512 175.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.586 HD11 HG22 ' A' ' 89' ' ' VAL . 1.6 mp -59.32 -33.64 51.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 C-N-CA 123.96 0.904 . . . . 61.14 112.292 -170.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 56.1 mtpt -57.9 -37.01 73.23 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.23 0.612 . . . . 72.21 111.462 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 41' ' ' LEU . 70.0 t -74.74 -49.23 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.544 1.138 . . . . 74.25 111.139 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' HD1' HD12 ' A' ' 82' ' ' LEU . 23.6 m-85 -77.12 -16.91 59.01 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.36 0.664 . . . . 74.35 112.221 -171.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.79 94.94 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.614 0.571 . . . . 74.25 109.946 171.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.66 -34.69 58.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.069 0.948 . . . . 65.24 111.508 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.428 HD12 ' HD1' ' A' ' 79' ' ' TYR . 52.4 mt -76.06 -14.74 60.2 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.345 0.658 . . . . 63.15 112.581 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.13 -155.4 6.8 Favored Glycine 0 C--N 1.342 0.886 0 CA-C-N 116.343 -0.39 . . . . 71.04 112.262 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -104.19 34.06 3.22 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.656 1.182 . . . . 73.21 109.142 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.16 12.79 8.77 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 124.682 1.193 . . . . 74.4 111.655 -175.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.29 95.58 8.22 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 108.171 -1.048 . . . . 64.43 108.171 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.541 HG21 HG13 ' A' ' 76' ' ' ILE . 33.6 mm -119.58 142.36 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 115.627 -0.715 . . . . 65.13 110.765 -170.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -115.41 111.15 20.39 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 108.181 -1.044 . . . . 60.41 108.181 167.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 76' ' ' ILE . 7.9 t -101.08 133.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 109.015 -0.735 . . . . 61.33 109.015 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 p -133.57 125.54 29.05 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.901 0.88 . . . . 54.15 109.222 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -97.9 102.94 14.82 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.392 0.677 . . . . 73.1 109.343 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.8 t70 -70.03 -38.3 75.82 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.542 0.737 . . . . 63.11 110.348 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.25 -55.6 0.55 Allowed Glycine 0 C--N 1.345 1.069 0 N-CA-C 110.695 -0.962 . . . . 61.32 110.695 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.02 -18.56 39.35 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.212 0.605 . . . . 64.43 110.394 172.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 6.1 p -144.34 153.97 42.53 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.224 1.01 . . . . 73.11 111.264 174.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.425 HG11 ' O ' ' A' ' 68' ' ' ALA . 13.4 m -106.36 125.82 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.786 0.834 . . . . 62.31 109.286 166.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.3 m -117.73 132.07 56.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.031 0.933 . . . . 75.1 110.06 -172.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 65.6 t -128.27 117.3 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.296 0.639 . . . . 73.45 109.684 173.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' HG3' ' HB2' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -154.17 132.32 11.8 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 107.99 -1.115 . . . . 74.25 107.99 171.155 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.06 -159.88 31.66 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.614 0.571 . . . . 62.42 112.585 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.61 38.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.958 0.503 . . . . 74.1 111.538 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.14 103.32 2.73 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 106.554 -1.647 . . . . 74.01 106.554 166.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.81 149.85 21.05 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.867 0.867 . . . . 54.22 110.967 -175.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.46 -82.02 0.48 Allowed Glycine 0 C--N 1.349 1.277 0 O-C-N 123.885 0.741 . . . . 73.22 114.699 169.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -72.55 96.33 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 C-N-CA 124.399 1.079 . . . . 74.33 111.591 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--O 1.254 1.309 0 CA-C-N 115.721 -0.672 . . . . 52.51 109.607 176.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.328 -0.249 . . . . 75.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -148.83 -79.53 0.14 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.946 0.898 . . . . 42.21 110.122 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -77.26 -36.25 54.61 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 113.074 0.768 . . . . 64.24 113.074 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -57.31 115.46 2.71 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 123.386 0.429 . . . . 73.12 110.13 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -55.83 114.04 1.74 Allowed 'General case' 0 CA--C 1.541 0.631 0 O-C-N 124.652 1.22 . . . . 73.24 112.274 -172.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -108.08 89.76 3.09 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.196 -1.365 . . . . 70.01 109.044 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -67.75 141.49 56.56 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 115.54 -0.755 . . . . 72.12 110.654 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.75 13.19 9.27 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 124.298 1.039 . . . . 70.32 112.594 176.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.4 t -76.91 96.2 4.28 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.376 -0.972 . . . . 63.41 108.376 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 144.88 28.9 0.1 OUTLIER Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.16 -0.927 . . . . 74.4 111.073 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.74 147.13 50.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.753 0.821 . . . . 73.31 111.123 -176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 96.4 mt -106.89 121.89 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.299 1.44 . . . . 74.03 110.338 -169.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.57 126.94 39.01 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.657 0.383 . . . . 54.12 110.028 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.9 t -97.64 114.93 36.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 124.257 1.023 . . . . 64.12 108.686 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -113.47 140.78 47.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.244 1.018 . . . . 75.4 109.05 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 27.1 t-20 -138.18 147.84 44.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.363 0.665 . . . . 65.11 109.682 173.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -131.71 110.79 11.13 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.643 0.777 . . . . 65.02 110.203 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' A' ' 48' ' ' ILE . 90.0 m-20 -109.01 113.0 25.49 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.593 -1.262 . . . . 62.13 107.593 167.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.38 107.39 9.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.529 -0.545 . . . . 65.03 109.529 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.4 p 169.69 117.56 0.01 OUTLIER 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.048 1.739 . . . . 71.11 107.934 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 68.67 -76.73 0.06 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.987 1.315 . . . . 74.53 111.763 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.99 139.47 27.18 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-O 119.88 -0.4 . . . . 13.43 112.439 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -68.27 133.73 49.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.429 0.692 . . . . 72.12 110.751 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 m -70.06 97.34 1.16 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.544 0.738 . . . . 64.22 109.148 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.09 -80.72 0.06 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.868 -0.419 . . . . 70.33 109.868 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -163.06 138.12 6.58 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 109.304 -0.628 . . . . 64.25 109.304 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.644 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 97.1 m-85 -139.05 12.28 2.63 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.26 1.024 . . . . 74.32 110.237 -176.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.5 m -86.27 134.85 33.73 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.325 0.65 . . . . 72.24 110.872 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -133.04 159.13 40.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.71 1.204 . . . . 73.34 108.854 171.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -124.92 112.02 16.13 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.769 -0.826 . . . . 74.42 108.769 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG11 ' HA ' ' A' ' 37' ' ' LEU . 33.1 m -114.46 126.02 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.968 -0.752 . . . . 74.13 108.968 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -89.74 -17.92 27.36 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.338 0.59 . . . . 73.12 109.873 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.5 m -139.02 152.48 47.65 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.987 0.915 . . . . 71.41 109.994 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.41 -22.14 66.86 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.289 1.036 . . . . 74.04 112.85 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.2 p -64.28 -37.64 88.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.058 0.543 . . . . 70.22 110.469 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 22.6 mm-40 -73.18 -38.46 66.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.841 0.857 . . . . 74.25 110.042 178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HA ' HG11 ' A' ' 31' ' ' VAL . 8.9 tp -55.94 -42.49 76.26 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.654 1.182 . . . . 64.35 112.4 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -62.96 -26.77 68.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.447 -0.797 . . . . 71.31 111.434 -174.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.65 -48.04 23.81 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.254 0.621 . . . . 50.2 109.94 174.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 16.1 m -67.98 -26.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.364 1.214 0 CA-C-O 118.858 -0.591 . . . . 73.24 112.165 -172.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.533 ' HG ' HG22 ' A' ' 74' ' ' ILE . 3.8 mm? -80.07 -40.05 28.44 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.46 0.573 . . . . 72.43 112.259 178.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -63.96 -43.97 94.19 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.648 0.592 . . . . 75.44 109.527 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.36 -40.04 70.9 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.125 -0.488 . . . . 71.44 110.705 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 35.3 tp -63.44 -29.62 70.87 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.464 0.705 . . . . 75.12 110.668 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -54.45 -39.99 67.96 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.915 0.886 . . . . 73.11 110.838 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.07 -41.63 70.45 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.662 0.785 . . . . 62.03 111.068 176.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -58.84 -42.33 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 123.325 0.65 . . . . 73.42 111.941 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.64 ' HA ' HD21 ' A' ' 18' ' ' ASN . 69.0 mt -74.46 -45.63 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.64 0.776 . . . . 73.14 110.681 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.34 -37.93 71.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.751 0.82 . . . . 74.51 111.373 -172.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -66.08 -43.9 86.01 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.462 0.476 . . . . 65.11 110.317 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.54 -38.48 90.16 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 123.731 0.644 . . . . 74.31 109.567 170.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.14 53.58 45.19 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 114.79 -1.096 . . . . 73.3 112.693 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 t -86.72 144.83 26.92 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 110.104 -0.332 . . . . 70.54 110.104 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -60.14 -42.95 95.94 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.584 0.754 . . . . 71.23 111.416 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -118.75 135.15 54.66 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.66 0.784 . . . . 61.01 110.312 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.481 ' HB3' ' HE1' ' A' ' 79' ' ' TYR . 35.2 t -139.29 117.1 11.57 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.975 0.91 . . . . 62.23 108.718 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -114.2 108.93 17.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.498 0.719 . . . . 60.43 109.801 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m -103.38 121.13 42.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.476 0.711 . . . . 73.41 109.713 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -119.84 130.34 54.84 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 109.189 -0.671 . . . . 61.43 109.189 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.521 HG21 ' CD2' ' A' ' 71' ' ' PHE . 22.4 mt -126.65 139.88 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.156 0.982 . . . . 70.14 110.692 -171.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.43 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 47.2 m -66.55 105.55 1.54 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.915 0.886 . . . . 70.44 111.146 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.08 128.36 46.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.805 0.842 . . . . 71.03 109.825 177.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 29.9 mmt180 -80.08 -35.7 36.61 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 121.752 -0.592 . . . . 71.34 111.067 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -131.55 178.73 6.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.372 1.069 . . . . 65.34 108.913 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -74.14 -20.77 60.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.225 0.21 . . . . 73.1 110.527 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -72.0 -29.14 63.91 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.189 0.596 . . . . 74.35 109.854 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 5.5 mm-40 -75.31 -43.27 51.86 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.03 -0.73 . . . . 64.34 109.03 171.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -57.43 -41.16 79.89 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.427 -0.806 . . . . 60.05 112.154 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.74 -43.25 63.17 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.504 0.321 . . . . 70.44 111.837 -176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 62.9 pttt -74.33 -43.29 57.29 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 119.499 -0.286 . . . . 75.34 110.517 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 39.4 m-85 -64.41 -35.91 82.45 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.489 0.493 . . . . 75.51 110.392 174.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.618 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -56.51 -47.65 78.89 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.828 0.705 . . . . 75.31 110.938 175.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.17 98.94 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.226 0.954 . . . . 63.53 110.87 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.533 HG22 ' HG ' ' A' ' 41' ' ' LEU . 88.8 mt -60.24 -25.38 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 124.049 0.939 . . . . 61.21 110.93 177.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 71' ' ' PHE . 58.5 mt -81.35 -42.46 20.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.047 0.539 . . . . 74.44 110.284 174.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.76 -35.51 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 124.861 1.265 . . . . 61.32 111.284 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -60.77 -46.2 91.42 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.402 0.681 . . . . 63.25 110.683 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG21 HD12 ' A' ' 41' ' ' LEU . 61.9 t -60.72 -52.53 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.897 0.879 . . . . 75.1 110.717 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.481 ' HE1' ' HB3' ' A' ' 56' ' ' SER . 72.9 m-85 -69.68 -24.25 63.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.187 0.595 . . . . 74.12 112.345 -177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.01 -42.92 89.08 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.865 0.466 . . . . 74.11 110.428 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.51 -36.34 83.54 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.397 -0.82 . . . . 70.2 110.716 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 85.0 mt -71.39 -23.91 61.97 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.595 0.758 . . . . 61.33 112.137 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -178.79 -96.89 0.1 Allowed Glycine 0 C--N 1.352 1.441 0 C-N-CA 121.277 -0.487 . . . . 62.51 113.902 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.26 158.37 16.62 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.721 0.808 . . . . 75.42 112.307 -169.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -82.04 -28.64 32.36 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.198 0.999 . . . . 74.13 109.915 174.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -71.57 105.93 3.83 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 123.352 0.661 . . . . 64.32 109.271 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -122.04 142.32 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.876 0.87 . . . . 72.53 109.129 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 101' ' ' GLN . 6.2 t30 -88.24 123.93 33.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.53 -0.915 . . . . 60.33 108.53 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.81 141.76 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.426 0.69 . . . . 74.14 109.539 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -144.75 139.29 27.76 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.533 1.133 . . . . 75.45 108.422 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.45 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 17.8 m-90 -110.86 100.84 9.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.652 -0.87 . . . . 74.31 108.652 -177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 95' ' ' THR . 7.7 t70 -61.09 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.771 0.828 . . . . 75.14 110.826 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.44 -84.9 0.17 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 110.594 -1.002 . . . . 72.32 110.594 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -82.68 0.27 44.06 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.505 0.722 . . . . 75.14 110.627 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 7.0 m -140.33 143.04 35.59 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.081 0.952 . . . . 73.45 108.476 171.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.618 HG21 ' HB2' ' A' ' 72' ' ' ALA . 7.6 p -111.66 145.43 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 N-CA-C 109.014 -0.736 . . . . 61.33 109.014 171.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.2 m -130.33 132.16 45.71 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.448 0.699 . . . . 72.04 110.022 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.6 t -126.0 132.28 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.501 1.12 . . . . 74.44 108.715 175.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -119.06 143.49 47.09 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 124.455 1.102 . . . . 72.24 109.178 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -75.59 100.73 1.33 Allowed Glycine 0 C--N 1.342 0.912 0 N-CA-C 110.259 -1.137 . . . . 73.53 110.259 169.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 88' ' ' ASN . 16.9 pt20 -78.93 157.3 28.24 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.16 0.505 . . . . 73.03 111.511 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 103' ' ' GLU . 1.2 tm? -86.17 149.32 25.19 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.141 -1.059 . . . . 71.13 108.141 176.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' N ' HD13 ' A' ' 102' ' ' LEU . 12.3 pt-20 -65.55 155.16 36.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.357 0.663 . . . . 70.21 112.179 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.19 52.09 0.46 Allowed Glycine 0 N--CA 1.467 0.75 0 N-CA-C 110.989 -0.844 . . . . 73.54 110.989 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.3 m -132.99 155.22 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.368 1.067 . . . . 75.42 110.405 -172.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 109.34 -0.615 . . . . 63.44 109.34 -179.199 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 109.213 -0.662 . . . . 72.44 109.213 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -137.26 105.22 5.63 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.119 0.968 . . . . 65.34 108.847 173.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.07 95.64 3.67 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.637 -0.71 . . . . 75.31 111.31 -176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -77.04 -6.02 51.07 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 115.844 -0.616 . . . . 73.35 111.122 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -81.39 60.71 4.55 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 108.783 -0.821 . . . . 65.41 108.783 171.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.62 77.49 3.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.645 0.736 . . . . 64.42 109.952 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -147.83 157.34 43.49 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.896 1.278 . . . . 73.23 108.535 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -108.01 125.35 51.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.468 0.707 . . . . 70.35 110.719 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -81.62 100.92 9.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.68 0.792 . . . . 73.43 109.517 174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.52 139.02 27.05 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 115.755 -0.657 . . . . 64.24 111.594 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -76.95 154.94 33.1 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.123 0.569 . . . . 74.41 111.247 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 HG21 HD22 ' A' ' 37' ' ' LEU . 76.0 mt -80.33 103.67 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-N 114.943 -1.026 . . . . 62.51 109.097 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.478 ' H ' ' HB ' ' A' ' 61' ' ' THR . 26.3 tp60 -89.71 120.83 31.32 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.069 0.948 . . . . 74.1 109.188 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 t -105.05 114.13 43.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 106.601 -1.629 . . . . 71.12 106.601 -174.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' HA ' HG22 ' A' ' 28' ' ' THR . 51.7 mt-30 -123.25 105.14 9.61 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 109.59 -0.522 . . . . 74.42 109.59 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 26' ' ' ASP . 27.4 t-20 -103.98 130.41 51.63 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.394 -0.965 . . . . 75.54 108.394 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 56' ' ' SER . 3.1 t-20 -101.14 110.06 22.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.929 -1.137 . . . . 74.33 107.929 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -139.69 113.66 8.8 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.651 -1.611 . . . . 62.44 106.651 178.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -145.04 124.99 13.48 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.285 0.564 . . . . 63.12 109.838 -174.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -148.28 172.77 13.83 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.91 1.284 . . . . 22.45 108.72 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -69.12 88.62 0.42 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.177 0.513 . . . . 65.33 109.712 176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.56 10.15 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.251 -0.886 . . . . 51.12 110.925 -176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -77.97 80.07 4.42 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.368 0.604 . . . . 72.33 109.655 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.9 t -140.87 90.87 2.36 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.097 -0.956 . . . . 60.4 108.562 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.99 163.56 21.95 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.133 -0.94 . . . . 71.33 111.074 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 16' ' ' ASN . 6.2 m-20 -74.23 134.97 42.69 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.964 0.906 . . . . 73.03 109.482 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -86.52 81.42 8.29 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.645 0.736 . . . . 72.33 110.291 -167.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 15' ' ' GLN . 5.4 p -94.9 134.95 37.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.825 -1.08 . . . . 65.3 111.189 177.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -135.61 156.26 49.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.656 1.182 . . . . 71.31 108.923 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.5 m -129.27 109.38 11.07 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.53 -0.915 . . . . 72.23 108.53 172.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 14.9 m -113.78 146.94 17.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 123.383 0.673 . . . . 70.31 109.807 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 t -101.68 -19.38 15.43 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.111 0.565 . . . . 62.43 110.666 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.51 ' HB ' ' HG3' ' A' ' 36' ' ' GLU . 6.0 m -118.42 143.27 46.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.881 0.873 . . . . 51.44 109.203 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -67.06 -27.74 67.63 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.677 0.791 . . . . 64.12 112.215 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.7 t -64.97 -41.59 95.3 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.663 0.385 . . . . 75.14 110.919 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG3' ' HB ' ' A' ' 33' ' ' THR . 47.3 mt-10 -63.13 -33.26 75.08 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.078 0.551 . . . . 64.34 110.55 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.49 HD11 HD13 ' A' ' 60' ' ' ILE . 55.0 tp -60.8 -41.33 95.44 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.545 0.738 . . . . 71.25 110.809 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -70.6 -32.18 69.44 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.661 -0.699 . . . . 73.2 111.124 177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -70.87 -43.03 69.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.422 0.689 . . . . 71.23 111.178 177.144 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.9 m -74.3 -26.6 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 119.67 -0.205 . . . . 72.3 111.084 -177.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mm? -74.66 -34.75 62.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.467 0.707 . . . . 72.42 111.037 171.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 39' ' ' LYS . 18.6 t30 -55.68 -51.35 67.58 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.27 1.028 . . . . 73.1 110.578 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -76.16 -33.47 59.37 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.014 0.526 . . . . 44.32 111.612 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 16' ' ' ASN . 9.5 tt -58.49 -33.75 70.14 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 124.467 1.107 . . . . 75.51 111.38 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.5 ttpt -54.58 -47.09 73.72 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.317 1.047 . . . . 74.22 112.103 176.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.21 -34.73 79.05 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.958 -1.019 . . . . 72.23 110.957 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -73.09 -37.19 66.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.3 -0.864 . . . . 72.55 111.996 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.3 mt -70.05 -43.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.602 -0.518 . . . . 73.41 109.602 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -65.8 -21.74 66.51 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.019 0.927 . . . . 74.23 111.77 -179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -53.18 -41.74 65.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.277 1.031 . . . . 74.14 111.788 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -114.91 172.05 7.28 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.189 0.595 . . . . 64.32 110.088 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.26 31.28 6.82 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.62 -0.264 . . . . 25.42 112.651 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.38 100.18 3.72 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.376 0.671 . . . . 73.3 109.407 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.95 -10.74 59.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.661 0.784 . . . . 74.53 112.363 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -111.26 121.92 46.52 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.541 0.736 . . . . 64.22 109.83 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' ASN . 59.0 p -139.83 111.96 7.58 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 123.799 0.84 . . . . 73.55 109.578 176.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -99.34 109.36 21.99 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.608 -0.516 . . . . 74.02 109.608 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -112.54 132.82 54.91 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.719 0.408 . . . . 70.22 110.218 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 4.8 t -134.82 119.99 18.81 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.969 -1.123 . . . . 72.51 107.969 -177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.49 HD13 HD11 ' A' ' 37' ' ' LEU . 62.6 mt -115.11 120.22 64.0 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 C-N-CA 124.414 1.085 . . . . 75.31 109.353 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.478 ' HB ' ' H ' ' A' ' 13' ' ' GLN . 33.0 m -65.36 103.42 0.81 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-O 121.703 0.763 . . . . 73.12 110.133 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.73 127.5 53.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.194 -1.366 . . . . 32.13 107.462 173.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.03 -21.22 65.03 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.855 0.687 . . . . 74.22 112.855 -170.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.6 p -138.01 167.78 21.08 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.53 0.732 . . . . 73.33 109.921 173.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -63.83 -33.09 74.9 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.719 0.807 . . . . 52.15 111.011 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -68.69 -24.04 64.45 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.374 0.607 . . . . 74.23 110.237 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 50.9 mt-10 -83.97 -33.68 24.55 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.171 0.588 . . . . 64.45 110.876 172.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -67.24 -36.15 81.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.909 -0.587 . . . . 61.53 111.227 -178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.62 -38.31 73.91 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.405 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -74.4 -30.31 61.89 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.904 -0.497 . . . . 75.12 111.165 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -83.69 -16.02 46.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.818 0.447 . . . . 75.21 111.807 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.21 82.26 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.541 -0.541 . . . . 44.54 109.541 166.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.37 78.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.136 -0.938 . . . . 51.2 111.735 176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.49 HG22 ' HG ' ' A' ' 41' ' ' LEU . 50.1 mt -57.5 -38.06 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.453 0.701 . . . . 65.14 111.003 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.0 mt -75.43 -43.85 47.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.5 -0.318 . . . . 71.21 111.485 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.496 HG12 HG21 ' A' ' 87' ' ' ILE . 60.3 mt -66.11 -40.11 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 123.203 0.601 . . . . 60.13 110.915 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -64.55 -35.37 80.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.412 0.685 . . . . 71.52 111.677 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 41' ' ' LEU . 71.1 t -80.69 -49.89 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.479 0.711 . . . . 45.24 111.462 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 1.5 m-85 -75.95 -33.17 59.81 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.04 0.936 . . . . 65.33 112.385 -168.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.97 -21.5 65.96 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.031 0.207 . . . . 42.24 111.507 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.23 -37.03 84.56 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.585 0.754 . . . . 74.5 110.747 172.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.37 -22.79 47.38 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.172 -0.922 . . . . 73.34 110.503 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.81 168.54 11.85 Favored Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.387 -0.824 . . . . 74.14 111.705 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 64.15 85.4 0.14 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 72.33 111.413 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -71.28 -20.87 62.16 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 109.524 -0.547 . . . . 72.11 109.524 171.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.48 83.56 0.1 Allowed 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.219 1.008 . . . . 65.24 108.394 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.496 HG21 HG12 ' A' ' 76' ' ' ILE . 36.9 mm -102.03 124.16 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.861 -0.792 . . . . 74.44 108.861 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.73 106.53 18.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.154 -1.054 . . . . 73.23 108.154 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.7 p -96.87 128.67 47.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.523 0.729 . . . . 72.44 109.623 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -137.46 155.68 49.02 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.69 1.196 . . . . 71.13 107.965 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.463 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 8.5 m-90 -125.94 106.49 9.67 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.31 -0.626 . . . . 71.14 109.31 -176.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -110.86 91.02 3.5 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.097 0.959 . . . . 72.22 109.675 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.28 49.28 9.59 Favored Glycine 0 N--CA 1.476 1.316 0 CA-C-N 116.011 -0.541 . . . . 75.34 113.258 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 65.57 2.66 2.12 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 125.087 1.355 . . . . 73.45 113.171 -175.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.2 m -98.9 136.82 38.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.405 1.082 . . . . 63.43 108.307 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 59' ' ' SER . 5.0 p -90.97 112.32 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.428 0.632 . . . . 73.12 110.352 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -107.31 134.83 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.466 1.106 . . . . 75.11 109.44 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.18 132.88 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.563 1.145 . . . . 74.35 107.977 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -146.57 138.17 24.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.519 0.728 . . . . 73.41 109.755 175.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 62.11 -136.09 45.8 Favored Glycine 0 C--N 1.346 1.12 0 O-C-N 124.101 0.876 . . . . 60.03 113.551 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -128.07 162.46 26.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.535 0.734 . . . . 74.0 109.586 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.7 tp -85.78 123.66 31.4 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.579 -0.526 . . . . 74.44 109.579 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -88.17 -16.82 32.33 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.106 0.562 . . . . 74.22 111.167 176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.08 122.56 28.91 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.606 0.566 . . . . 52.41 112.032 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.98 136.52 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.607 0.763 . . . . 71.4 110.943 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 123.138 0.575 . . . . 74.43 109.526 177.388 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 mmt . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 109.326 -0.62 . . . . 74.12 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -80.4 -41.85 23.85 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 109.188 -0.671 . . . . 74.31 109.188 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -107.89 125.1 51.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.967 1.307 . . . . 74.24 108.128 168.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -68.64 130.31 42.45 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.912 0.387 . . . . 74.04 110.283 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -150.43 131.07 13.98 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.425 1.09 . . . . 70.1 109.046 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -78.29 78.96 4.75 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 108.938 -0.764 . . . . 71.43 108.938 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -151.91 127.17 9.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 73.14 108.243 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -78.0 120.82 23.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.892 0.877 . . . . 63.14 110.32 -177.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p -81.01 -21.51 40.15 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.212 0.605 . . . . 61.13 111.292 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.36 66.25 0.03 OUTLIER Glycine 0 C--N 1.351 1.405 0 N-CA-C 111.484 -0.647 . . . . 44.22 111.484 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.62 126.86 30.77 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.556 0.742 . . . . 72.11 109.489 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HA ' ' HB ' ' A' ' 61' ' ' THR . 14.6 mt -78.65 104.16 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 114.874 -1.057 . . . . 73.44 110.298 -170.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -93.28 112.46 24.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.095 -0.706 . . . . 74.13 109.095 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t -91.59 105.62 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 106.979 -1.489 . . . . 72.13 106.979 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -106.88 106.02 16.33 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.634 -0.876 . . . . 73.34 108.634 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.653 HD21 ' HB3' ' A' ' 56' ' ' SER . 25.7 t-20 -105.49 112.73 25.94 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.491 -0.929 . . . . 74.14 108.491 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -103.48 111.35 23.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.381 -1.34 . . . . 72.43 107.381 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.495 HD22 ' NE2' ' A' ' 51' ' ' GLN . 47.0 t30 -109.23 135.54 50.15 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.493 0.717 . . . . 71.01 109.606 -175.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 p -94.84 112.11 23.85 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.957 0.903 . . . . 71.44 109.31 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.6 m -134.53 168.85 18.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.105 0.962 . . . . 70.53 110.36 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -92.51 -32.79 14.73 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.453 0.701 . . . . 73.31 110.645 172.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.38 -129.13 0.24 Allowed Glycine 0 C--N 1.354 1.578 0 O-C-N 123.517 0.511 . . . . 63.35 113.451 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -58.64 -34.51 71.26 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.805 0.842 . . . . 61.24 110.875 -178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.0 m 61.15 31.32 19.65 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 124.781 1.3 . . . . 60.54 109.955 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -72.96 113.55 10.12 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 114.978 -1.01 . . . . 73.52 109.41 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 7.4 p-10 -72.27 164.69 25.84 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.756 -1.111 . . . . 75.55 109.833 174.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -126.81 111.74 14.55 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.234 0.613 . . . . 73.04 109.456 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.9 m -120.16 130.2 54.48 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.15 0.58 . . . . 44.51 110.315 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -124.02 146.89 48.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.51 1.124 . . . . 65.14 108.267 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.1 m -132.21 116.12 16.55 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.435 0.562 . . . . 75.33 109.884 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.54 133.34 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.287 1.035 . . . . 64.23 109.056 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 t -87.24 -6.03 58.72 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 123.01 0.524 . . . . 61.43 110.988 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 58.1 m -128.48 143.35 50.97 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.392 0.677 . . . . 64.35 110.547 -175.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -58.42 -45.46 88.4 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.232 1.413 . . . . 63.52 112.427 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.3 p -65.71 -30.78 71.51 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.195 0.998 . . . . 43.1 112.927 -173.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 17.1 mm-40 -69.22 -37.42 78.03 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.906 0.883 . . . . 75.32 111.113 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 ' O ' HG22 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -57.45 -39.14 75.66 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 114.502 -1.226 . . . . 74.4 112.614 -177.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -65.49 -18.9 65.67 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.851 -0.613 . . . . 71.23 111.79 -171.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.81 -42.95 18.97 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.611 0.764 . . . . 64.25 110.421 172.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 37' ' ' LEU . 3.1 m -65.95 -22.52 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 122.835 0.454 . . . . 72.41 111.444 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' HB3' HG21 ' A' ' 78' ' ' VAL . 3.8 mm? -71.51 -41.6 69.03 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.001 0.92 . . . . 63.22 111.405 175.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.32 -37.46 87.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.22 0.608 . . . . 65.22 110.056 175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.7 -50.1 68.29 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.505 -0.77 . . . . 72.31 110.136 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.72 -39.62 74.24 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.7 1.2 . . . . 73.22 111.514 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -55.93 -54.13 48.5 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.56 1.144 . . . . 73.22 111.57 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.21 -39.03 82.53 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.293 0.996 . . . . 72.11 110.883 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -66.54 -38.56 87.39 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.448 0.699 . . . . 70.23 111.142 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -70.97 -47.48 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 123.803 0.841 . . . . 64.2 110.221 175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.62 -26.6 65.43 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.094 0.558 . . . . 55.0 111.778 -172.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -32.0 73.22 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.824 0.85 . . . . 55.24 111.143 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.495 ' NE2' HD22 ' A' ' 18' ' ' ASN . 7.2 pt20 -106.02 119.41 39.13 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.766 0.827 . . . . 71.14 109.602 175.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -73.53 74.26 1.1 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 111.874 -0.49 . . . . 75.42 111.874 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.9 m -93.32 179.78 5.3 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.721 1.208 . . . . 72.51 111.33 -174.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -76.64 -70.53 0.45 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.745 0.818 . . . . 60.41 111.01 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -153.16 150.11 28.73 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.353 0.661 . . . . 73.32 110.695 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.653 ' HB3' HD21 ' A' ' 16' ' ' ASN . 35.6 m -120.39 119.17 32.28 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.969 0.908 . . . . 65.41 110.625 -174.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HE ' ' HG3' ' A' ' 99' ' ' GLU . 11.6 ttm180 -102.51 109.6 21.28 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.519 0.728 . . . . 71.54 110.228 -177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 m -103.86 129.81 51.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.951 0.5 . . . . 73.51 109.841 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -127.3 119.1 25.52 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.433 -1.321 . . . . 63.41 107.433 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 71' ' ' PHE . 37.0 mt -113.32 132.52 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.731 0.812 . . . . 74.12 110.113 -173.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.471 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 85.0 m -54.7 119.85 5.91 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.359 1.064 . . . . 52.11 112.422 177.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.02 146.95 52.56 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.369 -1.345 . . . . 64.11 107.369 167.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -100.21 -27.0 13.74 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.549 -0.537 . . . . 74.31 109.549 173.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.0 p -130.58 160.52 33.93 Favored 'General case' 0 C--O 1.246 0.892 0 C-N-CA 124.745 1.218 . . . . 44.04 109.079 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 13.8 ptmm? -73.32 -23.2 60.23 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.627 0.371 . . . . 73.15 111.86 -174.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -70.63 -34.88 72.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.833 0.453 . . . . 64.42 111.209 175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.17 -42.97 93.18 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.5 -0.556 . . . . 64.14 109.5 172.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.13 69.86 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.117 -0.947 . . . . 72.51 111.78 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 58.4 mm-40 -70.28 -53.13 18.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.835 0.454 . . . . 72.43 111.859 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' NZ ' ' HE1' ' A' ' 71' ' ' PHE . 20.7 pttp -69.69 -32.58 71.27 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.429 0.529 . . . . 63.23 112.429 -172.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 60' ' ' ILE . 36.3 m-85 -76.34 -28.48 56.89 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.484 0.314 . . . . 73.12 111.092 174.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -66.32 -41.27 89.91 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 109.837 -0.431 . . . . 73.24 109.837 171.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.62 94.85 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.132 0.573 . . . . 74.44 110.483 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.497 HG22 ' HG ' ' A' ' 41' ' ' LEU . 96.5 mt -62.48 -42.67 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.077 0.951 . . . . 74.43 110.561 174.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD13 ' HB ' ' A' ' 98' ' ' VAL . 26.8 mt -63.06 -57.71 9.73 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.88 0.872 . . . . 72.12 111.588 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.726 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -51.48 -36.74 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 125.177 1.391 . . . . 65.52 111.703 -176.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -62.29 -48.64 79.01 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.477 0.711 . . . . 51.14 112.094 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' LEU . 58.4 t -64.48 -51.14 71.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.408 1.083 . . . . 41.35 110.441 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.469 ' HD1' ' HB ' ' A' ' 78' ' ' VAL . 5.3 m-85 -72.91 -16.56 61.56 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.643 -1.617 . . . . 71.45 111.788 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.58 75.8 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.748 0.819 . . . . 71.43 110.896 172.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.73 -27.25 64.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.61 0.764 . . . . 70.54 110.671 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.8 mt -92.67 -26.72 17.68 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.741 0.816 . . . . 74.41 111.379 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.68 -32.51 3.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-O 119.813 -0.437 . . . . 64.33 114.024 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 63.52 17.37 10.31 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 124.356 1.062 . . . . 74.04 112.444 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -142.47 -175.72 4.57 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.32 1.048 . . . . 72.34 109.985 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -59.46 130.02 44.84 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.273 -0.876 . . . . 75.41 108.833 168.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.726 ' HB ' HG13 ' A' ' 76' ' ' ILE . 48.5 mm -99.49 143.58 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.626 0.648 . . . . 64.51 110.045 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -88.08 126.16 34.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.936 0.894 . . . . 53.33 110.161 -167.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.0 p -122.2 137.57 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 124.396 1.079 . . . . 73.12 109.684 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 m -142.2 152.64 43.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.22 1.008 . . . . 73.0 108.529 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.3 m-90 -127.81 128.1 44.68 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.051 0.54 . . . . 73.33 109.638 -174.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -160.17 142.71 13.3 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.666 0.787 . . . . 74.25 109.644 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.37 33.75 88.08 Favored Glycine 0 C--N 1.345 1.028 0 O-C-N 123.458 0.474 . . . . 52.32 112.731 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 69.36 2.17 3.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 125.298 1.439 . . . . 73.35 111.614 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.6 m -116.64 142.44 46.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.535 1.134 . . . . 54.53 109.705 -165.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.4 p -92.6 114.22 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.281 0.562 . . . . 52.02 110.634 -177.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.0 m -108.2 104.75 14.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.108 0.963 . . . . 75.1 110.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.456 ' HB ' HD13 ' A' ' 75' ' ' LEU . 38.7 t -99.8 123.03 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.16 0.984 . . . . 73.11 109.447 174.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' HG3' ' HE ' ' A' ' 57' ' ' ARG . 1.1 tm-20 -152.3 118.21 5.46 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 108.7 -0.852 . . . . 64.4 108.7 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.44 -146.47 18.97 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.684 0.615 . . . . 40.22 113.111 172.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -148.46 151.76 35.76 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.467 0.707 . . . . 75.0 110.789 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.9 mt -82.13 154.87 25.31 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.199 0.999 . . . . 75.22 111.653 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -105.81 -170.08 1.68 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.473 1.109 . . . . 70.22 110.495 175.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.29 74.85 1.29 Allowed Glycine 0 C--N 1.348 1.24 0 N-CA-C 112.277 -0.329 . . . . 73.4 112.277 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.1 p -72.4 93.05 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 CA-C-O 121.73 0.776 . . . . 65.31 110.095 176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.714 -0.675 . . . . 73.54 109.466 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HB2' ' HD2' ' A' ' 3' ' ' HIS . 24.5 ptt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.819 0.342 . . . . 74.12 110.626 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -137.01 50.01 2.02 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.069 0.948 . . . . 74.32 108.802 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 10.6 m-70 -71.15 103.57 2.81 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.111 -0.95 . . . . 73.11 111.167 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -130.37 99.81 5.15 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 106.476 -1.676 . . . . 63.24 106.476 165.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -65.21 97.68 0.28 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.386 -0.598 . . . . 64.24 109.386 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -135.0 163.48 29.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.456 0.703 . . . . 52.24 110.917 -170.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -103.28 -34.24 8.86 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.275 -0.875 . . . . 60.23 109.291 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -137.86 -57.17 0.67 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.847 0.859 . . . . 63.3 111.301 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.4 m 62.77 34.3 14.68 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.176 0.99 . . . . 50.44 109.482 -162.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.93 141.66 9.61 Favored Glycine 0 C--N 1.349 1.289 0 CA-C-N 115.038 -0.983 . . . . 71.14 111.45 -168.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.51 157.33 26.16 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.577 0.751 . . . . 74.31 110.941 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' A' ' 31' ' ' VAL . 37.7 mt -97.62 101.42 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 108.276 -1.009 . . . . 65.34 108.276 174.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -101.04 117.31 34.77 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.339 0.655 . . . . 72.43 109.429 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG22 HG12 ' A' ' 60' ' ' ILE . 67.7 t -92.94 106.82 18.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.917 1.287 . . . . 52.13 108.536 176.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' HA ' HG23 ' A' ' 28' ' ' THR . 96.4 mt-30 -99.0 106.02 18.23 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.855 -0.795 . . . . 64.51 108.855 174.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 19.9 t-20 -107.63 143.05 36.64 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.886 -0.783 . . . . 73.44 108.886 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -138.68 139.64 38.52 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.806 -1.183 . . . . 65.24 107.806 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.55 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.8 m-20 -122.32 128.46 51.07 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.603 0.761 . . . . 64.24 109.731 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.1 m -95.45 110.16 22.25 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 124.221 1.009 . . . . 73.21 109.292 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -160.53 -177.26 6.08 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 125.12 1.368 . . . . 72.5 108.803 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.64 158.04 13.34 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.271 0.629 . . . . 75.31 110.66 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.97 146.96 9.19 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.12 -0.822 . . . . 71.04 112.595 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.7 tptt 89.94 -3.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 126.569 1.948 . . . . 75.11 110.748 -170.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 t -66.11 144.32 56.76 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.978 0.418 . . . . 64.12 110.889 175.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -112.86 134.53 54.33 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.668 0.787 . . . . 63.2 110.11 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' ASN . 6.5 p-10 -93.27 155.91 17.13 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.473 -0.936 . . . . 74.41 108.473 171.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -117.92 63.74 0.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.189 0.518 . . . . 52.44 110.568 -173.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.478 HG23 ' HA ' ' A' ' 15' ' ' GLN . 98.9 m -86.11 119.01 25.93 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.059 -0.519 . . . . 73.42 109.994 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.09 161.53 27.41 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.735 1.214 . . . . 65.1 109.566 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.9 m -131.16 119.4 21.83 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.364 -0.606 . . . . 75.42 109.364 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 36' ' ' GLU . 27.1 m -108.89 150.18 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.172 0.989 . . . . 64.05 109.073 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 t -94.86 -11.77 28.17 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.355 0.502 . . . . 71.21 112.355 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.608 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 37.6 m -145.34 155.21 43.05 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.236 0.614 . . . . 75.14 110.805 -173.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.28 -37.79 78.54 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.798 1.239 . . . . 74.41 112.034 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.5 t -56.33 -48.63 76.36 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.686 0.794 . . . . 73.3 110.598 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 8.3 mm-40 -67.4 -25.54 65.99 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.217 -0.901 . . . . 62.33 110.909 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HA ' HG12 ' A' ' 40' ' ' VAL . 39.1 tp -70.15 -41.89 73.26 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.419 0.688 . . . . 63.02 111.023 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -63.51 -32.75 74.3 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.763 -0.653 . . . . 71.53 110.566 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.42 -48.64 39.67 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.594 -0.73 . . . . 74.51 110.697 176.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 37' ' ' LEU . 12.3 p -68.45 -35.08 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 119.531 -0.271 . . . . 73.1 111.319 -173.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 78' ' ' VAL . 3.6 mm? -72.92 -30.97 64.31 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.909 0.484 . . . . 71.43 111.547 177.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -60.98 -48.83 80.0 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.419 0.688 . . . . 71.44 110.171 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.14 -30.01 54.89 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 116.127 -0.488 . . . . 75.1 111.104 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 41' ' ' LEU . 26.4 tp -62.0 -33.96 75.31 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.625 0.77 . . . . 75.54 111.141 -175.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -52.97 -37.33 61.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.377 1.071 . . . . 71.31 111.755 174.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.74 -44.33 77.81 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.124 0.97 . . . . 75.21 110.76 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -67.39 -41.16 85.45 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.444 0.698 . . . . 73.21 111.89 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.0 mt -79.41 -21.94 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.017 0.527 . . . . 72.33 110.184 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -70.59 -41.89 71.73 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-O 121.321 0.582 . . . . 72.43 109.857 169.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.5 -40.8 89.44 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.636 -1.166 . . . . 61.44 110.711 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -121.08 70.5 0.92 Allowed 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.861 0.865 . . . . 63.32 108.927 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.47 79.88 0.91 Allowed Glycine 0 C--N 1.346 1.092 0 CA-C-N 114.714 -1.13 . . . . 53.43 111.872 175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 18' ' ' ASN . 7.2 m -66.74 154.72 40.01 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.544 0.737 . . . . 73.15 111.719 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -29.1 67.71 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 114.751 -1.113 . . . . 74.24 110.134 -175.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -136.99 126.62 25.33 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 108.392 -0.966 . . . . 55.21 108.392 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.6 m -137.71 116.26 12.07 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.208 0.603 . . . . 61.53 109.952 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -94.28 142.75 27.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.704 0.801 . . . . 70.2 109.895 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.9 m -140.03 120.47 14.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.589 0.756 . . . . 73.35 109.052 168.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.3 m -116.15 130.69 56.92 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.056 0.942 . . . . 64.32 110.057 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.43 HG12 HG22 ' A' ' 14' ' ' VAL . 21.6 mt -114.06 132.5 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.248 0.619 . . . . 70.43 109.776 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 m -64.69 106.64 1.23 Allowed 'General case' 0 C--O 1.242 0.675 0 C-N-CA 123.856 0.863 . . . . 61.53 110.834 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . . . -102.3 86.7 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.662 -1.154 . . . . 74.23 109.818 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' H ' ' HD3' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -63.68 -25.27 68.14 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.056 -0.52 . . . . 63.04 110.782 -175.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 p -128.41 162.18 27.74 Favored 'General case' 0 C--O 1.254 1.296 0 C-N-CA 124.471 1.108 . . . . 55.3 108.658 170.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -62.04 -23.25 66.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.21 0.604 . . . . 72.34 110.754 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.68 -50.92 71.54 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.135 0.974 . . . . 75.2 109.448 176.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.542 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 12.2 mm-40 -60.07 -42.93 95.59 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.393 1.058 . . . . 71.42 109.938 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -56.31 -44.59 80.07 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.793 0.837 . . . . 74.13 112.456 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -72.94 -53.42 11.31 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.153 0.581 . . . . 63.44 112.109 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 56.4 pttt -72.18 -30.4 64.94 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.381 -0.372 . . . . 62.33 111.994 -172.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.6 m-30 -86.13 -17.88 33.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.494 0.318 . . . . 72.04 111.837 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 89' ' ' VAL . . . -60.47 -44.16 96.19 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.08 -0.711 . . . . 73.4 109.08 167.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.02 -29.52 70.44 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.484 -0.78 . . . . 71.44 112.004 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.46 -50.34 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.408 0.683 . . . . 75.23 110.534 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.41 -39.15 91.81 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.616 0.767 . . . . 75.35 112.302 -178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.593 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -63.47 -38.67 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 123.494 0.717 . . . . 70.14 109.934 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -65.28 -46.67 79.51 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.556 0.742 . . . . 71.5 111.099 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 41' ' ' LEU . 54.7 t -65.87 -48.86 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.894 0.878 . . . . 64.01 110.973 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -70.68 -21.25 62.61 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 112.524 0.564 . . . . 71.53 112.524 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.07 -33.86 72.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.848 0.459 . . . . 73.34 110.503 176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.24 -11.37 60.26 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 63.51 111.636 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.94 -25.91 13.3 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.26 1.024 . . . . 52.54 110.266 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.26 122.41 1.28 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 110.635 -0.986 . . . . 72.43 110.635 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -66.38 -9.73 36.42 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.588 1.155 . . . . 72.44 112.607 -172.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.1 157.6 30.7 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.87 0.868 . . . . 71.4 111.417 175.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.36 130.35 42.78 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 107.471 -1.307 . . . . 72.31 107.471 166.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.592 ' HB ' HG13 ' A' ' 76' ' ' ILE . 38.9 mm -89.99 150.3 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.348 0.659 . . . . 71.23 110.363 -170.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.47 ' HA ' ' HB2' ' A' ' 102' ' ' LEU . 40.1 t30 -87.38 132.7 33.88 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.995 0.518 . . . . 73.42 110.039 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.593 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.2 p -133.31 143.33 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.159 0.984 . . . . 73.04 109.416 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -147.02 148.06 31.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.683 1.193 . . . . 51.11 108.231 176.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.527 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 30.5 m-90 -119.48 117.18 27.75 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.952 0.501 . . . . 74.54 109.862 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -66.13 -47.18 74.96 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 121.435 0.635 . . . . 74.11 109.974 172.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.21 -70.39 0.31 Allowed Glycine 0 C--N 1.34 0.798 0 N-CA-C 109.691 -1.364 . . . . 72.13 109.691 -176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.78 2.67 55.85 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.079 0.552 . . . . 63.3 110.951 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.8 m -144.44 148.78 35.02 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 109.248 -0.649 . . . . 61.25 109.248 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.6 p -113.48 126.62 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.994 0.917 . . . . 61.31 109.431 172.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.6 m -108.26 137.02 46.95 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.664 0.786 . . . . 61.41 110.136 176.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 42.1 t -131.62 114.19 24.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.783 -1.192 . . . . 72.24 107.783 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -144.59 117.76 8.94 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.24 0.616 . . . . 74.35 109.773 -173.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.92 -149.11 39.06 Favored Glycine 0 C--N 1.345 1.059 0 O-C-N 123.425 0.453 . . . . 73.15 113.227 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 87' ' ' ILE . 14.9 pm0 -128.52 142.79 50.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.406 0.683 . . . . 64.21 110.503 -176.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 88' ' ' ASN . 47.9 tp -88.67 110.82 21.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.585 0.754 . . . . 75.45 109.683 176.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -142.38 142.37 32.42 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.457 1.103 . . . . 35.34 108.679 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.53 -151.43 23.54 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 111.166 -0.774 . . . . 53.13 111.166 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.0 t 63.74 92.33 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 124.72 1.208 . . . . 35.42 110.689 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 108.556 -0.905 . . . . 50.21 108.556 -179.838 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.074 -0.343 . . . . 71.13 110.074 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -73.31 141.95 47.13 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 108.441 -0.948 . . . . 74.45 108.441 172.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -58.93 -28.65 66.45 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.088 0.555 . . . . 65.2 111.641 -175.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -87.34 3.75 45.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 123.935 0.894 . . . . 74.34 111.965 -175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -65.12 -18.61 65.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.945 -0.472 . . . . 51.52 111.761 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.5 162.2 25.43 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.13 1.372 . . . . 74.3 108.479 173.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -59.65 -42.19 92.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.15 0.58 . . . . 71.41 111.198 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -70.62 74.27 0.56 Allowed 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.894 0.746 . . . . 74.11 110.349 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -73.22 -48.92 30.99 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.494 0.718 . . . . 71.01 110.351 -175.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 -56.59 4.91 Favored Glycine 0 C--N 1.352 1.448 0 O-C-N 123.672 0.608 . . . . 41.02 112.73 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -70.94 162.79 28.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.523 1.129 . . . . 71.3 111.322 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.425 ' HB ' HG23 ' A' ' 31' ' ' VAL . 46.2 mt -101.94 102.97 14.28 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 108.092 -1.077 . . . . 74.44 108.092 172.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -87.69 119.43 28.0 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.048 -0.723 . . . . 75.12 109.048 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -115.49 123.68 71.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.122 0.969 . . . . 54.21 109.479 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -127.38 120.97 29.7 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 108.242 -1.022 . . . . 71.12 108.242 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.606 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.6 t-20 -103.58 123.5 47.07 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.652 -0.87 . . . . 73.51 108.652 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.633 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.9 OUTLIER -117.86 109.66 16.82 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 108.653 -0.869 . . . . 73.52 108.653 173.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -99.37 113.6 26.02 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 105.485 -2.042 . . . . 75.24 105.485 171.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.639 HG22 ' HG2' ' A' ' 55' ' ' ARG . 11.2 t -93.13 122.58 35.66 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 121.851 0.834 . . . . 74.23 109.493 -169.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -164.31 171.13 15.26 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.25 -1.341 . . . . 75.12 109.61 -174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.78 109.27 1.18 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.011 0.525 . . . . 75.33 110.166 175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.4 -64.85 0.55 Allowed Glycine 0 C--N 1.337 0.6 0 N-CA-C 110.87 -0.892 . . . . 72.32 110.87 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 62.23 8.91 2.93 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.131 1.372 . . . . 61.12 113.751 177.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -86.05 94.36 9.22 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.469 0.708 . . . . 63.5 110.148 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.506 ' CE1' ' HA ' ' A' ' 17' ' ' ASN . 48.0 p90 -168.08 177.68 5.44 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.142 0.977 . . . . 72.32 110.55 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -127.69 -65.05 0.94 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.064 0.945 . . . . 75.24 109.539 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 2.4 m-85 57.28 37.7 28.3 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.13 0.972 . . . . 71.13 111.468 177.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -102.43 129.59 48.96 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 114.857 -1.065 . . . . 44.13 110.273 -173.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -128.24 147.13 50.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.472 1.109 . . . . 72.22 108.465 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.1 m -129.75 104.62 7.52 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 107.65 -1.241 . . . . 73.02 107.65 172.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' HB ' ' A' ' 12' ' ' ILE . 35.9 m -113.64 128.92 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 123.645 0.778 . . . . 73.43 109.493 -175.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -93.89 -12.14 29.53 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.208 0.603 . . . . 60.34 110.484 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.716 ' HB ' ' HG2' ' A' ' 36' ' ' GLU . 90.5 m -128.0 138.68 52.69 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.782 0.833 . . . . 75.21 109.429 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG2' ' HZ ' ' A' ' 71' ' ' PHE . 44.7 mt-10 -65.62 -29.94 70.58 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.203 1.001 . . . . 70.53 111.755 -176.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 m -60.08 -40.13 88.5 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.32 0.648 . . . . 63.53 110.98 175.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.716 ' HG2' ' HB ' ' A' ' 33' ' ' THR . 3.7 mm-40 -68.91 -33.32 73.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.348 0.659 . . . . 75.43 110.063 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 40' ' ' VAL . 51.5 tp -63.05 -40.01 96.43 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.721 0.808 . . . . 64.5 110.948 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -64.22 -36.42 84.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.497 0.719 . . . . 61.14 110.876 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -65.73 -53.06 45.88 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.607 0.763 . . . . 74.24 110.582 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.414 HG22 ' HA ' ' A' ' 37' ' ' LEU . 21.2 m -67.51 -27.15 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 123.818 0.698 . . . . 62.14 111.758 -172.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.4 mm? -74.78 -36.77 62.52 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.512 0.725 . . . . 53.43 111.317 176.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -70.1 -38.44 75.64 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.076 0.55 . . . . 71.02 110.735 -175.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -78.49 -36.61 44.83 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.917 0.487 . . . . 75.44 110.632 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 16' ' ' ASN . 42.7 tp -59.91 -36.34 76.79 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.874 0.87 . . . . 70.34 110.868 179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' HG13 ' A' ' 78' ' ' VAL . 37.5 ttpt -45.05 -49.81 11.26 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.808 1.643 . . . . 71.21 111.815 175.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.29 -38.42 89.3 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.951 0.782 . . . . 73.11 111.543 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.91 -39.66 55.82 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.999 0.92 . . . . 73.01 112.033 -174.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.47 -41.79 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.519 0.676 . . . . 73.35 109.238 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HB2' HD22 ' A' ' 82' ' ' LEU . 70.6 tttt -67.82 -39.7 83.91 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.209 -1.36 . . . . 73.44 110.714 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -67.87 -37.4 81.75 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.005 -0.998 . . . . 72.21 111.199 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -70.74 89.31 0.74 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.028 -1.101 . . . . 71.43 108.028 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.71 74.13 0.77 Allowed Glycine 0 C--N 1.349 1.268 0 O-C-N 124.106 0.879 . . . . 43.15 113.323 -173.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.0 m -140.57 -13.24 1.0 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.806 1.242 . . . . 74.55 109.458 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt 55.55 70.43 0.63 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.703 1.601 . . . . 75.42 112.628 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HG2' HG22 ' A' ' 19' ' ' THR . 5.7 tpp180 -141.16 139.65 33.93 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 114.986 -1.006 . . . . 70.52 109.109 171.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 99' ' ' GLU . 24.6 p -114.91 118.9 34.79 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.679 1.192 . . . . 61.43 108.868 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.633 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 30.8 ttm180 -150.3 110.31 4.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.593 -0.521 . . . . 74.42 109.593 170.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 97' ' ' THR . 96.0 m -135.15 121.37 20.18 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 109.193 -0.669 . . . . 71.31 109.193 173.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.3 m -95.21 120.89 36.21 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 124.868 1.355 . . . . 64.25 109.172 174.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.39 126.15 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 123.544 0.737 . . . . 73.01 109.136 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 12' ' ' ILE . 53.0 m -67.82 114.68 6.6 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 120.897 0.379 . . . . 34.24 110.436 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.16 107.63 18.34 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.268 1.027 . . . . 61.21 108.347 175.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -64.21 -27.14 68.86 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.972 0.509 . . . . 75.34 111.062 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -132.55 163.48 28.75 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 124.205 1.002 . . . . 32.02 109.376 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.1 ptpp? -67.3 -21.18 65.69 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.671 0.388 . . . . 73.21 110.958 174.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HD2' ' HG3' ' A' ' 65' ' ' LYS . 4.2 mptp? -65.89 -39.93 91.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.106 0.962 . . . . 74.31 109.785 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 46.8 mt-10 -68.97 -37.36 78.74 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.51 -1.223 . . . . 62.11 110.874 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.07 71.07 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.788 0.68 . . . . 74.15 111.997 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 65' ' ' LYS . 35.2 mm-40 -79.36 -49.84 11.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.947 0.499 . . . . 64.22 111.973 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 63.1 pttt -69.23 -29.1 66.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.449 -0.341 . . . . 73.21 110.861 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 70' ' ' LYS . 15.1 m-30 -88.92 -19.38 25.87 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.943 0.497 . . . . 71.34 111.791 177.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' O ' HD13 ' A' ' 76' ' ' ILE . . . -60.47 -45.97 91.78 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 108.037 -1.097 . . . . 63.51 108.037 167.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' LYS . . . -57.44 -44.0 84.35 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 124.279 0.987 . . . . 71.21 111.2 175.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.46 -52.18 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 123.347 0.659 . . . . 55.31 110.781 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.9 -49.93 75.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.929 0.891 . . . . 72.0 112.003 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.499 HG13 ' HB ' ' A' ' 87' ' ' ILE . 1.6 mp -54.78 -41.26 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.85 0.86 . . . . 64.12 110.854 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 73' ' ' ALA . 59.5 mtpt -68.4 -42.23 79.32 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.455 0.702 . . . . 64.04 111.895 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 41' ' ' LEU . 72.5 t -65.75 -45.93 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.281 0.632 . . . . 75.34 110.651 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CD1' HD12 ' A' ' 82' ' ' LEU . 55.2 m-85 -73.39 -18.23 61.18 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.733 -0.667 . . . . 71.35 112.138 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.25 77.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.077 0.551 . . . . 64.35 110.756 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -78.48 -19.03 53.95 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.495 0.718 . . . . 64.12 111.142 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 49' ' ' LYS . 76.8 mt -91.31 -23.09 20.23 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.756 0.822 . . . . 73.11 111.414 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.47 156.0 23.38 Favored Glycine 0 C--N 1.338 0.65 0 O-C-N 123.305 0.378 . . . . 61.13 112.314 177.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.07 -9.3 58.11 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.561 0.744 . . . . 72.44 110.648 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.83 135.69 47.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.957 0.903 . . . . 75.14 110.612 172.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.15 131.15 45.79 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.896 0.747 . . . . 72.13 109.277 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.499 ' HB ' HG13 ' A' ' 76' ' ' ILE . 11.9 mm -84.99 133.26 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 123.287 0.635 . . . . 73.33 110.495 -168.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.647 ' HA ' ' HB2' ' A' ' 102' ' ' LEU . 46.4 t30 -89.15 145.34 25.5 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.931 0.492 . . . . 75.22 109.683 177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.2 p -132.6 121.88 46.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 123.631 0.772 . . . . 62.33 109.014 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.4 m -130.44 132.44 45.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.966 0.906 . . . . 51.04 109.351 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -101.21 113.11 25.85 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.188 -1.041 . . . . 61.52 108.188 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.48 -36.76 60.56 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.885 0.874 . . . . 60.43 110.749 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.28 101.98 2.37 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 108.838 -1.705 . . . . 74.44 108.838 -169.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 72.45 2.67 4.43 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.574 1.55 . . . . 63.55 112.171 -171.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -145.36 148.93 33.92 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.414 1.086 . . . . 72.2 108.225 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.5 p -123.9 109.24 22.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 108.663 -0.866 . . . . 63.11 108.663 172.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' THR . 96.9 m -100.77 126.09 47.29 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.341 0.656 . . . . 73.31 110.255 176.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 57' ' ' ARG . 14.3 t -92.17 121.08 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 107.143 -1.429 . . . . 74.22 107.143 165.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 56' ' ' SER . 3.6 tm-20 -133.64 119.02 18.87 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.224 -0.658 . . . . 65.13 109.224 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.97 -148.07 50.79 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 123.41 0.444 . . . . 70.01 113.406 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -111.8 148.01 34.49 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.658 0.783 . . . . 71.14 111.009 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.647 ' HB2' ' HA ' ' A' ' 88' ' ' ASN . 50.0 tp -91.18 139.95 30.27 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.037 0.935 . . . . 55.44 109.388 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.2 28.89 4.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.286 1.035 . . . . 65.11 109.265 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.576 ' H ' ' HG ' ' A' ' 102' ' ' LEU . . . -77.39 68.5 2.67 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.668 0.651 . . . . 73.24 112.743 -175.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 m -105.51 138.51 30.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 124.557 1.143 . . . . 53.12 109.096 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 123.295 0.638 . . . . 72.12 110.114 -179.332 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 109.363 -0.606 . . . . 71.3 109.363 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.94 142.55 36.38 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.133 0.973 . . . . 63.24 108.441 170.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -66.21 -38.35 87.74 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.85 0.86 . . . . 70.31 110.387 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -146.97 174.09 11.83 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.85 -1.068 . . . . 71.24 109.148 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -145.04 -71.43 0.27 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.867 -0.42 . . . . 74.11 109.867 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -140.64 -80.53 0.26 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.317 0.647 . . . . 64.14 109.283 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.09 -176.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.921 1.688 . . . . 73.11 107.875 -175.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.46 ' HG3' HD11 ' A' ' 12' ' ' ILE . 11.5 mmt180 -134.44 104.5 6.14 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.163 -1.051 . . . . 74.23 108.163 169.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 t -59.04 111.06 1.18 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.743 1.217 . . . . 74.02 110.029 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.98 91.34 0.73 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.439 -1.464 . . . . 44.31 109.439 -166.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.05 150.93 23.47 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.418 1.087 . . . . 72.25 112.907 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD11 ' HG3' ' A' ' 8' ' ' ARG . 19.4 mt -95.72 105.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.279 -0.873 . . . . 73.4 109.218 -175.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -86.34 137.93 32.2 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 109.418 -0.586 . . . . 73.34 109.418 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 28' ' ' THR . 63.5 t -118.35 107.23 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 107.684 -1.228 . . . . 74.23 107.684 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.485 ' HG2' HG23 ' A' ' 28' ' ' THR . 45.0 mt-30 -106.36 107.32 18.27 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.914 -0.402 . . . . 75.32 109.914 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 27' ' ' TYR . 22.5 t-20 -105.4 139.28 40.26 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.458 -0.571 . . . . 63.31 109.458 173.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -114.85 108.76 17.17 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.071 -1.455 . . . . 72.51 107.071 172.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.643 HD21 ' HB2' ' A' ' 51' ' ' GLN . 54.1 t30 -100.84 142.69 31.96 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.876 -0.786 . . . . 75.54 108.876 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 54' ' ' LYS . 40.8 p -94.73 124.05 38.54 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.569 -0.741 . . . . 75.24 110.314 -171.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.3 m 66.48 72.93 0.37 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.709 1.204 . . . . 72.14 111.113 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 28.5 t30 -85.76 123.28 30.96 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.172 -0.922 . . . . 71.13 109.611 177.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.19 -74.07 0.63 Allowed Glycine 0 C--N 1.349 1.262 0 O-C-N 123.978 0.799 . . . . 33.4 111.478 177.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -158.9 98.19 1.46 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.148 0.979 . . . . 74.31 109.476 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 t -159.44 172.11 18.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.683 0.793 . . . . 72.01 109.343 168.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -73.41 173.51 9.5 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.233 0.613 . . . . 73.02 111.261 -176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.06 145.08 52.12 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.667 -0.697 . . . . 70.42 111.442 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.479 ' HB3' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 -90.6 12.07 20.02 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.005 -0.998 . . . . 74.42 110.432 -178.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 15' ' ' GLN . 87.7 m -93.05 118.75 31.54 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.948 0.899 . . . . 72.33 109.449 170.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -133.2 130.12 38.67 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.159 0.984 . . . . 73.44 108.738 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.8 m -97.43 109.56 22.29 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.87 -0.789 . . . . 52.4 108.87 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.438 HG21 ' HB2' ' A' ' 37' ' ' LEU . 30.8 m -101.01 133.99 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 C-N-CA 123.793 0.837 . . . . 74.44 109.468 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.8 t -88.35 -14.0 39.26 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.438 0.532 . . . . 75.12 112.438 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.6 m -142.63 155.76 44.99 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.47 0.708 . . . . 72.24 109.792 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.3 -30.57 71.68 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.69 1.196 . . . . 50.31 112.047 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 p -59.6 -49.53 77.4 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.781 0.675 . . . . 74.35 109.524 174.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . 21.2 mm-40 -58.51 -32.94 69.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.324 1.05 . . . . 64.32 111.497 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' HA ' HG12 ' A' ' 40' ' ' VAL . 5.9 tt -74.49 -40.99 61.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.015 0.526 . . . . 74.21 110.929 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -58.19 -42.23 85.64 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.343 0.657 . . . . 74.41 110.374 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.95 -52.97 57.26 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.019 -0.991 . . . . 74.14 110.856 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 37' ' ' LEU . 4.8 p -68.73 -30.52 47.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 O-C-N 123.435 0.459 . . . . 61.42 111.686 -172.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD12 HG21 ' A' ' 78' ' ' VAL . 1.6 mm? -73.28 -39.72 65.15 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.039 0.535 . . . . 72.25 111.37 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -66.63 -35.57 80.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.563 -0.744 . . . . 71.24 110.966 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.54 -39.61 18.6 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.469 0.308 . . . . 73.01 111.789 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 tp -65.2 -29.43 70.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.409 0.684 . . . . 72.1 110.349 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG2' HD21 ' A' ' 82' ' ' LEU . 39.3 ttpt -43.28 -45.58 5.93 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.67 1.588 . . . . 63.05 111.727 170.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.92 -45.3 64.48 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.619 -1.173 . . . . 70.44 111.574 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -61.83 -39.89 93.4 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.568 0.747 . . . . 75.21 111.542 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -66.09 -48.63 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 123.915 0.886 . . . . 75.45 110.145 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.633 ' HB2' HD22 ' A' ' 82' ' ' LEU . 58.9 tttp -75.26 -22.51 57.76 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.35 0.5 . . . . 61.3 112.35 -177.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -61.45 -33.33 73.56 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.98 0.895 . . . . 61.55 109.805 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' A' ' 18' ' ' ASN . 36.5 mt-30 -118.23 -150.56 0.46 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.994 1.718 . . . . 74.0 107.731 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.28 88.7 1.59 Allowed Glycine 0 C--N 1.344 1.022 0 CA-C-N 118.285 0.493 . . . . 74.44 112.393 173.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.6 p -78.0 -23.91 48.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.499 0.72 . . . . 51.24 110.645 173.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HB2' HG21 ' A' ' 19' ' ' THR . 60.8 mttp -130.65 -157.52 0.83 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.575 1.55 . . . . 74.5 107.619 171.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.7 150.45 20.67 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.998 -0.439 . . . . 73.2 109.925 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.9 m -100.98 149.13 24.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.593 0.757 . . . . 54.13 111.474 -176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -105.39 150.21 25.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.392 1.077 . . . . 75.02 109.725 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.3 m -140.18 131.42 26.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.883 0.473 . . . . 74.51 110.042 165.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 t -117.25 119.89 36.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 107.785 -1.191 . . . . 53.15 107.785 172.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.469 HD13 HD11 ' A' ' 37' ' ' LEU . 41.8 mt -111.68 140.68 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 123.737 0.815 . . . . 65.24 109.713 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -58.06 105.89 0.32 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.829 1.251 . . . . 60.13 112.225 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.67 100.93 12.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.174 0.99 . . . . 61.3 110.016 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.547 ' HB2' ' HG3' ' A' ' 67' ' ' GLU . 39.5 mmt180 -70.45 -36.78 74.14 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.428 -0.806 . . . . 63.24 110.535 177.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.5 p -135.3 176.92 8.23 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.625 1.17 . . . . 61.43 109.085 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.475 0.484 . . . . 65.22 110.202 169.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -60.89 -45.19 95.58 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.808 0.843 . . . . 62.43 111.022 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 28.8 mm-40 -62.34 -43.17 99.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.369 0.604 . . . . 74.54 110.337 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' ' HD1' ' A' ' 91' ' ' TRP . . . -60.27 -48.96 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.918 -1.492 . . . . 71.32 112.188 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.47 -31.24 33.07 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.019 0.527 . . . . 62.54 111.933 -171.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 67' ' ' GLU . 58.9 pttt -73.18 -36.07 66.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 120.655 0.264 . . . . 72.14 110.354 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' A' ' 74' ' ' ILE . 19.3 m-30 -88.99 -18.34 27.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.99 0.516 . . . . 74.53 111.783 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.464 ' HB2' HG21 ' A' ' 96' ' ' VAL . . . -62.88 -40.98 99.16 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 108.66 -0.867 . . . . 71.55 108.66 166.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.12 -38.93 88.09 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.636 -0.711 . . . . 41.15 111.205 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' A' ' 71' ' ' PHE . 58.0 mt -62.87 -62.83 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.267 0.627 . . . . 73.11 110.018 175.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 41' ' ' LEU . 97.8 mt -53.57 -40.4 65.57 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.581 1.152 . . . . 72.2 113.131 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.763 HD11 ' HB ' ' A' ' 89' ' ' VAL . 1.5 mp -62.04 -48.15 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 123.168 0.587 . . . . 73.34 110.413 177.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -71.04 -35.48 71.99 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.263 0.625 . . . . 72.03 112.146 -175.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG21 HD12 ' A' ' 41' ' ' LEU . 76.7 t -63.92 -49.84 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.661 0.784 . . . . 74.23 109.885 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -82.79 -17.95 42.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.213 -0.903 . . . . 64.44 111.952 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.16 80.67 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.609 0.764 . . . . 74.11 110.631 172.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.08 -33.09 65.41 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.82 -1.082 . . . . 64.44 110.37 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.633 HD22 ' HB2' ' A' ' 49' ' ' LYS . 31.5 mt -73.59 -26.81 60.98 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.895 -0.593 . . . . 71.21 112.122 -176.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.01 -133.42 2.42 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.313 -0.715 . . . . 54.14 111.313 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -76.13 147.21 38.71 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 107.823 -1.177 . . . . 71.03 107.823 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -64.4 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.358 0.663 . . . . 73.23 111.479 -173.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -72.3 123.67 23.49 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.583 0.753 . . . . 73.4 109.472 172.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.2 mm -127.92 152.56 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.174 0.989 . . . . 64.22 109.941 -175.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -85.97 112.28 21.05 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.117 0.567 . . . . 73.22 109.644 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.763 ' HB ' HD11 ' A' ' 76' ' ' ILE . 7.3 p -107.53 130.46 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.317 0.647 . . . . 75.44 110.074 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -133.83 141.53 47.46 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.001 -1.111 . . . . 72.14 108.001 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.57 ' HD1' ' HB1' ' A' ' 68' ' ' ALA . 24.4 m-90 -114.87 114.08 25.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.362 -0.977 . . . . 74.33 108.362 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -66.93 -53.99 26.51 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.928 0.891 . . . . 74.41 110.47 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.34 -54.66 0.67 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.71 -1.356 . . . . 42.3 109.71 -174.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.21 -16.57 34.92 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.35 0.66 . . . . 74.41 110.402 173.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 p -145.06 151.87 39.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.924 0.89 . . . . 70.45 111.518 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.464 HG21 ' HB2' ' A' ' 72' ' ' ALA . 3.7 p -97.66 113.77 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 N-CA-C 108.971 -0.752 . . . . 55.51 108.971 165.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.0 m -103.77 104.68 14.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.771 0.828 . . . . 74.22 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 72.7 t -112.18 125.63 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.697 0.799 . . . . 64.0 109.224 176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.3 155.65 35.52 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 124.558 1.143 . . . . 74.44 108.477 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -60.94 162.16 22.9 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.395 0.434 . . . . 65.22 112.955 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.89 106.74 12.36 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.065 -0.717 . . . . 71.44 109.065 -171.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.8 tp -83.94 101.81 11.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.239 1.016 . . . . 72.41 108.871 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -98.36 107.84 20.4 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.941 0.496 . . . . 61.03 111.017 -173.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.5 15.51 7.16 Favored Glycine 0 C--N 1.337 0.589 0 CA-C-N 115.752 -0.658 . . . . 73.5 112.023 172.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.1 m -130.84 159.95 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.045 0.938 . . . . 72.53 110.447 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.958 0.903 . . . . 65.31 109.061 179.047 . . . . . . . . 0 0 . 1 stop_ save_