data_1t6r_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 1t6r _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.234 0.243 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -134.58 170.47 15.74 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.189 1.396 . . . . 0.0 110.625 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -141.71 130.63 23.08 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.222 1.809 . . . . 0.0 107.318 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -113.41 66.43 0.66 Allowed 'General case' 0 CA--C 1.538 0.491 0 O-C-N 124.045 0.841 . . . . 0.0 110.73 -173.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -70.95 140.61 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 120.521 -1.362 . . . . 0.0 109.237 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.0 t -145.75 143.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 126.896 2.078 . . . . 0.0 106.862 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' CD ' ' HG1' ' A' ' 42' ' ' THR . 49.1 mt-10 -131.45 -6.88 3.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.11 1.364 . . . . 0.0 113.293 177.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.16 1.46 11.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -157.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -126.94 24.13 6.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.698 2.399 . . . . 0.0 110.225 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' HA ' ' CE ' ' A' ' 44' ' ' LYS 0.374 7.0 m-20 78.17 18.93 1.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.444 2.297 . . . . 0.0 115.327 173.195 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HE2' ' HB1' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -141.69 126.2 17.78 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 125.044 1.338 . . . . 0.0 107.884 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.16 80.87 5.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.472 1.109 . . . . 0.0 108.691 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.45 132.74 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -136.92 104.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -77.21 104.25 7.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.8 136.31 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -122.54 95.58 4.69 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 125.674 1.59 . . . . 0.0 107.299 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.5 164.05 11.87 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.1 173.45 7.83 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.633 1.173 . . . . 0.0 109.08 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.9 mt -135.9 96.22 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.402 -0.811 . . . . 0.0 109.553 -166.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -119.19 -166.83 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.797 1.639 . . . . 0.0 107.823 160.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 -9.84 4.5 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -84.62 -16.31 42.46 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 120.837 1.653 . . . . 0.0 111.315 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -133.07 -40.26 0.93 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.386 -166.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 p -53.43 -36.23 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.005 1.275 . . . . 0.0 109.759 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -33.74 19.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.755 2.022 . . . . 0.0 111.714 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.48 -52.69 2.77 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.694 1.598 . . . . 0.0 108.812 -164.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.82 -37.36 1.77 Allowed 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 125.223 1.409 . . . . 0.0 110.831 165.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.53 -57.59 8.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.042 1.292 . . . . 0.0 112.618 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.17 -21.16 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.32 -0.238 . . . . 0.0 111.314 -167.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -86.39 -37.23 18.59 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.935 1.294 . . . . 0.0 108.085 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.18 -37.06 80.55 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.106 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -64.1 -32.47 74.05 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 120.935 -1.103 . . . . 0.0 111.65 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -54.05 44.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.902 0.774 . . . . 0.0 109.807 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -49.24 -47.97 46.05 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 127.211 2.204 . . . . 0.0 111.176 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.07 -35.41 47.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.623 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -80.46 -44.09 19.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.59 1.156 . . . . 0.0 110.381 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -69.1 -36.69 77.82 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.169 0.895 . . . . 0.0 110.427 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.403 ' HG1' ' CD ' ' A' ' 10' ' ' GLU . 1.1 t -74.77 127.06 32.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.938 -0.476 . . . . 0.0 109.945 -169.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -88.98 -13.3 39.23 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 111.704 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.442 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 13.0 mmmt -79.37 132.0 36.28 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -18.57 64.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.563 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 104.17 14.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 119.146 0.885 . . . . 0.0 108.987 -171.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.37 133.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 127.561 2.345 . . . . 0.0 107.459 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -130.39 96.26 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HA ' HG11 ' A' ' 17' ' ' VAL . 12.6 tp -81.53 90.76 6.27 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.292 -175.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -79.17 106.17 11.02 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.84 21.85 1.81 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.931 -1.106 . . . . 0.0 113.578 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -59.44 -5.87 0.91 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 -10.64 9.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.055 1.742 . . . . 0.0 112.194 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.23 149.03 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.61 -46.56 0.32 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.754 0.822 . . . . 0.0 109.694 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -96.31 137.73 34.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.0 ttp -146.18 112.0 5.64 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.274 1.429 . . . . 0.0 109.634 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--N 1.326 -0.453 0 C-N-CA 125.383 1.473 . . . . 0.0 111.23 179.669 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.35 -38.6 45.19 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 123.556 0.598 . . . . 0.0 111.697 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.71 -55.57 31.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.43 -33.29 65.82 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-O 119.092 -0.838 . . . . 0.0 111.402 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -57.71 -49.01 77.97 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.619 1.209 . . . . 0.0 110.445 175.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.75 -35.92 75.57 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 121.229 1.831 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.42 -36.39 77.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.756 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.0 t -58.35 -53.94 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 124.192 0.997 . . . . 0.0 109.336 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.75 -40.82 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.507 1.123 . . . . 0.0 109.45 -172.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.48 -53.71 54.29 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.524 0.678 . . . . 0.0 110.501 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.05 -34.89 70.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.396 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -33.81 71.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.245 0.475 . . . . 0.0 111.221 173.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.46 79.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.289 1.035 . . . . 0.0 110.94 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.05 -36.63 77.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.999 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.13 -53.69 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.268 0.94 . . . . 0.0 108.817 164.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.38 0.33 14.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.52 40.75 99.08 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 125.493 1.52 . . . . 0.0 111.717 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 171.52 11.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.316 1.058 . . . . 0.0 112.246 -174.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -81.66 164.46 21.8 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -145.17 120.85 10.49 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mt -133.71 151.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.59 166.15 15.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.4 t -147.82 161.31 41.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.286 1.434 . . . . 0.0 110.107 -169.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m 69.95 42.1 1.06 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.995 1.318 . . . . 0.0 114.379 160.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.519 ' H ' HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.88 107.96 2.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 130.451 3.5 . . . . 0.0 113.052 -176.195 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -65.68 162.58 18.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.29 1.436 . . . . 0.0 110.093 169.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.4 -46.7 66.41 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.915 1.689 . . . . 0.0 111.062 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -77.05 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.773 1.629 . . . . 0.0 109.295 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.417 ' HA ' HD11 ' A' ' 91' ' ' ILE . 26.5 mm -46.7 -49.82 6.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 126.944 2.098 . . . . 0.0 109.663 -172.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -52.99 -55.08 26.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.988 1.315 . . . . 0.0 109.185 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -46.02 63.52 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.776 -0.578 . . . . 0.0 109.934 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 88' ' ' ILE . 8.5 mt -77.37 15.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 126.649 1.98 . . . . 0.0 110.598 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.28 -40.36 3.68 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 119.58 -1.95 . . . . 0.0 107.179 168.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.21 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.317 -0.864 . . . . 0.0 112.018 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -24.04 63.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.374 2.269 . . . . 0.0 113.876 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.39 25.36 5.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.806 0.842 . . . . 0.0 111.99 171.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 58.81 20.95 8.47 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.093 -1.005 . . . . 0.0 112.196 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.27 -22.78 66.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 120.988 -1.07 . . . . 0.0 109.509 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.07 -17.22 62.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.734 1.214 . . . . 0.0 113.166 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -94.88 -13.42 25.49 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.905 1.229 . . . . 0.0 112.96 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.9 mt -90.49 -42.09 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.466 1.106 . . . . 0.0 108.933 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -115.78 19.99 14.85 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 126.131 1.772 . . . . 0.0 110.413 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 4.1 ttpp 47.16 -161.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.717 0.689 . . . . 0.0 109.958 -163.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.401 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -163.55 163.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 125.41 1.484 . . . . 0.0 108.245 150.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 60.9 p -136.21 145.2 45.43 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -53.15 24.09 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.5 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -138.27 -179.3 5.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.636 0.774 . . . . 0.0 111.726 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.1 p -61.02 -21.08 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.087 0.555 . . . . 0.0 111.337 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.53 -12.79 61.55 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.158 -0.964 . . . . 0.0 112.217 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -101.17 -10.92 19.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.863 1.211 . . . . 0.0 112.507 168.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.149 -1.882 . . . . 0.0 114.158 -160.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 CA--C 1.535 0.4 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -140.4 171.62 13.89 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.834 2.054 . . . . 0.0 109.762 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -147.68 125.75 12.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.647 1.979 . . . . 0.0 106.949 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.25 88.26 2.77 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 109.894 177.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.76 118.25 25.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 125.426 1.49 . . . . 0.0 108.281 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.76 143.94 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.144 1.777 . . . . 0.0 108.25 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.72 -118.27 0.25 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 54.39 -176.48 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.625 1.97 . . . . 0.0 110.855 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 33.95 -99.24 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.625 1.97 . . . . 0.0 110.358 -153.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.436 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 3.3 p30 -146.16 -1.89 0.72 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 164.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.25 160.06 24.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 122.102 2.228 . . . . 0.0 108.62 173.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.18 123.34 49.36 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 127.352 2.261 . . . . 0.0 106.75 160.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.1 mt -126.36 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG12 ' CE2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -128.55 112.32 26.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -78.22 97.19 5.44 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 123.612 0.765 . . . . 0.0 109.231 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.18 142.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 166.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.76 106.69 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.82 -177.89 20.17 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -172.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -115.74 176.11 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.818 2.047 . . . . 0.0 107.681 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -137.3 104.83 3.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 O-C-N 120.866 -1.146 . . . . 0.0 109.707 -166.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -137.7 -165.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 127.89 2.476 . . . . 0.0 107.822 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -12.23 52.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 119.841 -1.787 . . . . 0.0 115.339 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.22 -36.08 47.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 120.401 1.455 . . . . 0.0 109.849 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -112.82 -40.64 3.96 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.844 -159.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -55.94 -39.09 71.19 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 119.936 1.244 . . . . 0.0 109.46 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -37.98 -46.09 0.95 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.23 2.612 . . . . 0.0 113.167 163.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.53 -43.53 6.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 121.345 1.884 . . . . 0.0 112.27 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.04 -26.53 27.06 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 120.642 -1.286 . . . . 0.0 111.294 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -66.93 -65.59 0.66 Allowed 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 119.164 0.893 . . . . 0.0 110.656 168.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.58 -20.78 66.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.774 0.715 . . . . 0.0 111.793 -164.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.77 -38.19 18.48 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.727 0.811 . . . . 0.0 109.516 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.25 -43.62 98.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.071 0.85 . . . . 0.0 111.653 168.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -35.61 71.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.392 1.477 . . . . 0.0 109.026 175.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.67 -60.57 2.44 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.154 0.582 . . . . 0.0 110.829 169.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.407 ' CE2' HG12 ' A' ' 17' ' ' VAL . 2.1 t80 -47.52 -44.72 25.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 128.3 2.64 . . . . 0.0 112.04 -172.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -72.47 -22.3 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.452 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -72.46 -32.2 66.06 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.023 162.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 -20.62 26.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.808 1.64 . . . . 0.0 113.209 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 t -88.19 109.49 19.95 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.643 1.11 . . . . 0.0 113.336 -165.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -68.87 -2.56 9.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.745 1.618 . . . . 0.0 114.771 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 8.2 mmmm -93.45 128.23 39.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -75.97 -6.51 51.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.317 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 119.96 39.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.053 2.141 . . . . 0.0 106.965 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.75 128.21 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.1 t -127.48 97.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 125.853 1.661 . . . . 0.0 106.8 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.83 101.93 8.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.326 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -81.94 118.79 23.24 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.717 0.69 . . . . 0.0 110.882 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.2 mt -105.88 16.09 25.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.252 2.221 . . . . 0.0 112.279 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -58.82 -19.33 40.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.071 1.748 . . . . 0.0 114.053 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -92.48 -41.8 10.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.466 1.507 . . . . 0.0 110.142 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.3 t -64.35 115.42 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.314 1.046 . . . . 0.0 109.802 -162.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -95.86 -14.38 23.24 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.316 1.046 . . . . 0.0 112.307 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -154.12 140.32 18.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.918 0.781 . . . . 0.0 110.772 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.9 ttm -138.61 119.2 13.94 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.842 1.657 . . . . 0.0 109.115 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 C--O 1.235 0.34 0 CA-C-O 121.277 0.561 . . . . 0.0 111.061 175.722 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.485 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.4 93.51 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 125.159 1.361 . . . . 0.0 111.666 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.56 -51.63 69.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.787 0.835 . . . . 0.0 109.407 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.46 72.3 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.701 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.8 m -59.4 -46.91 87.38 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.321 1.061 . . . . 0.0 109.011 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.46 -33.4 69.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.696 1.589 . . . . 0.0 111.931 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.74 -33.92 62.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.162 -0.961 . . . . 0.0 110.542 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.05 -53.58 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 108.621 170.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mm -51.77 -40.87 28.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.461 1.504 . . . . 0.0 109.414 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.28 -54.38 41.49 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.302 -0.874 . . . . 0.0 112.358 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -40.34 19.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.125 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -44.67 91.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.936 0.894 . . . . 0.0 112.003 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.83 60.42 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 125.225 1.41 . . . . 0.0 110.615 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -70.87 -33.78 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.507 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mt -53.67 -61.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.053 0.941 . . . . 0.0 108.658 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -72.37 -6.49 43.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.211 1.004 . . . . 0.0 112.528 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.45 58.73 7.47 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 127.117 2.294 . . . . 0.0 113.432 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.17 171.03 15.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 119.094 1.447 . . . . 0.0 113.184 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -101.78 97.55 7.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.623 1.569 . . . . 0.0 108.707 -169.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -85.65 120.19 26.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.22 0.608 . . . . 0.0 109.8 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 19.4 mt -130.46 160.29 41.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.471 1.909 . . . . 0.0 108.214 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 169.98 9.77 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.571 -0.706 . . . . 0.0 110.325 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.6 t -156.09 162.39 40.27 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.941 0.496 . . . . 0.0 111.86 -167.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 m 60.53 43.9 12.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.043 1.737 . . . . 0.0 114.738 167.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.88 102.21 0.18 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 128.591 2.756 . . . . 0.0 111.78 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -67.12 164.39 18.1 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.128 168.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -29.85 69.87 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -165.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -70.73 -68.91 0.4 Allowed 'General case' 0 C--N 1.341 0.226 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.49 -58.74 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 125.912 1.685 . . . . 0.0 108.434 -169.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 t -31.34 -68.59 0.08 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.542 1.537 . . . . 0.0 111.044 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -40.87 65.11 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.683 1.593 . . . . 0.0 111.578 -176.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.3 mt -67.13 -36.92 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 126.529 1.932 . . . . 0.0 109.278 -174.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.25 -43.86 96.81 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 120.941 -1.1 . . . . 0.0 108.846 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -19.52 64.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.6 -62.05 2.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.378 1.899 . . . . 0.0 109.456 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 7.02 3.56 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.685 1.594 . . . . 0.0 112.542 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.0 m80 49.87 35.13 8.78 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.814 1.645 . . . . 0.0 112.909 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.56 -19.43 60.34 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.705 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.46 -8.56 14.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 127.696 2.398 . . . . 0.0 114.595 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -107.53 -10.01 15.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.653 1.181 . . . . 0.0 112.831 169.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.3 mt -95.1 -59.5 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -90.16 18.68 5.68 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.245 1.018 . . . . 0.0 111.258 175.298 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 8.7 ttpp 47.81 -155.98 0.06 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.323 -0.861 . . . . 0.0 109.849 -169.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.501 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -171.48 156.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 126.394 1.878 . . . . 0.0 109.03 159.293 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.497 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 62.0 p -149.02 104.07 3.4 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.26 -25.49 67.87 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.073 -1.017 . . . . 0.0 111.8 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -133.84 153.73 51.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.984 1.714 . . . . 0.0 109.395 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.35 -27.14 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.585 -0.697 . . . . 0.0 111.28 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.58 -16.55 62.3 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.468 1.107 . . . . 0.0 111.36 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -81.96 -10.46 59.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.427 1.012 . . . . 0.0 112.072 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.161 1.384 . . . . 0.0 111.125 177.129 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.432 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -133.05 162.25 32.22 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.699 0.799 . . . . 0.0 110.789 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 mt -143.56 103.22 4.06 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.127 1.771 . . . . 0.0 107.903 -169.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 84.35 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.9 mt -78.73 126.45 38.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.28 126.1 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 109.827 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -141.98 31.04 1.6 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.926 2.091 . . . . 0.0 112.693 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -72.24 -4.88 32.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.471 1.509 . . . . 0.0 114.537 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 -83.12 0.6 Allowed 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' CA ' ' HE2' ' A' ' 44' ' ' LYS . 2.8 p30 -161.28 -2.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.058 0.943 . . . . 0.0 113.146 -160.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -147.41 125.43 12.07 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 120.046 1.294 . . . . 0.0 108.886 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 10' ' ' GLU . . . -79.89 87.91 5.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.044 1.338 . . . . 0.0 109.326 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.08 152.8 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.9 t -133.01 114.45 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 166.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.7 mtp85 -85.27 97.44 9.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.24 132.99 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -121.28 16.9 11.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -157.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.85 167.87 40.8 Favored Glycine 0 C--N 1.316 -0.578 0 O-C-N 121.011 -1.056 . . . . 0.0 111.256 -172.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -74.0 176.55 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 -170.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 90.3 mt -134.45 60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.71 -179.42 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 119.765 -1.834 . . . . 0.0 108.751 166.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.93 -10.83 10.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 120.65 -1.282 . . . . 0.0 113.689 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.52 -20.01 44.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.865 0.866 . . . . 0.0 111.878 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -127.93 -44.02 1.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 124.515 1.126 . . . . 0.0 110.734 -163.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -50.25 -47.37 55.16 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 125.31 1.444 . . . . 0.0 109.436 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.73 -40.79 6.29 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.265 2.226 . . . . 0.0 113.615 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -93.95 -44.78 7.91 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 120.256 1.389 . . . . 0.0 110.97 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.253 0.4 OUTLIER -48.15 -34.78 10.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.585 1.154 . . . . 0.0 109.842 166.41 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -68.12 -59.29 3.35 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.111 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.85 -0.86 6.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 120.047 1.294 . . . . 0.0 113.89 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -109.93 -40.78 4.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.15 1.78 . . . . 0.0 109.381 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.23 -31.64 71.27 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 120.396 -1.44 . . . . 0.0 111.376 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -67.0 -12.35 59.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.027 1.331 . . . . 0.0 111.477 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.56 -55.43 3.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.149 -0.969 . . . . 0.0 110.377 170.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -35.87 -60.05 0.55 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 128.816 2.846 . . . . 0.0 110.9 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.84 -27.2 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -85.31 -4.83 59.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.943 2.097 . . . . 0.0 112.102 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -144.94 43.12 1.33 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.637 1.562 . . . . 0.0 111.71 -169.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t -133.65 -13.58 2.57 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.073 -1.642 . . . . 0.0 114.637 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t 60.35 -22.61 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.167 2.187 . . . . 0.0 115.718 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HE2' ' CA ' ' A' ' 13' ' ' ASP . 4.3 mttp -78.48 128.57 33.76 Favored 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 119.751 -1.843 . . . . 0.0 106.979 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.78 -17.02 64.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.419 168.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 117.53 31.17 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.63 1.104 . . . . 0.0 109.572 -174.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.0 134.54 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 129.173 2.989 . . . . 0.0 107.417 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -136.32 93.88 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.286 2.634 . . . . 0.0 108.226 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.91 102.05 8.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.17 101.74 12.72 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.133 1.773 . . . . 0.0 109.04 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 18.02 5.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.3 t -60.1 -19.05 51.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.312 1.869 . . . . 0.0 115.424 -169.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -84.78 -40.36 17.31 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.694 1.133 . . . . 0.0 109.163 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 t -66.27 131.82 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 108.124 -166.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -51.02 2.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.112 1.765 . . . . 0.0 109.584 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -99.49 142.49 30.9 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.4 ttm -146.15 115.5 7.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.878 1.671 . . . . 0.0 107.61 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 0.0 112.065 176.797 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.8 -53.14 43.22 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.681 1.134 . . . . 0.0 113.676 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.2 tp -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.242 1.021 . . . . 0.0 109.722 -169.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.83 -14.12 78.42 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-O 117.507 -1.719 . . . . 0.0 113.826 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.2 m -66.52 -45.23 80.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 120.135 1.968 . . . . 0.0 108.599 168.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.42 -29.56 69.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.887 1.676 . . . . 0.0 111.205 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -66.95 -39.91 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 124.298 1.039 . . . . 0.0 110.657 173.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.7 t -58.93 -47.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 120.568 -1.333 . . . . 0.0 109.944 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.64 -38.69 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.806 0.842 . . . . 0.0 109.354 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.38 -53.05 62.71 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.263 -0.398 . . . . 0.0 110.033 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -51.75 -41.65 61.73 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -35.84 80.02 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.84 66.01 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.467 0.707 . . . . 0.0 110.17 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -31.2 62.73 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 117.749 -1.119 . . . . 0.0 112.005 -175.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.2 mt -51.81 -57.6 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.098 1.359 . . . . 0.0 108.675 165.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.37 -9.6 58.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.341 0.656 . . . . 0.0 112.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.6 36.04 49.85 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.763 1.649 . . . . 0.0 115.013 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -123.47 -174.72 3.03 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 121.155 2.477 . . . . 0.0 113.51 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.86 163.89 12.61 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.406 1.483 . . . . 0.0 108.502 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -156.08 110.31 2.81 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.897 1.679 . . . . 0.0 108.026 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.4 mt -128.13 149.28 32.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.012 -173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.57 170.6 7.88 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -168.59 157.01 8.36 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -159.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.0 m 51.75 47.99 23.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.632 1.573 . . . . 0.0 113.404 174.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 133.71 46.58 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.964 2.906 . . . . 0.0 110.086 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -87.81 159.19 18.52 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 116.94 -1.505 . . . . 0.0 109.429 162.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.47 -43.42 45.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.372 1.442 . . . . 0.0 111.694 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -68.48 0.36 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.645 1.178 . . . . 0.0 109.103 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.477 ' HA ' HD11 ' A' ' 91' ' ' ILE . 23.3 mm -47.69 -58.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 127.732 2.413 . . . . 0.0 109.336 -176.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -38.87 -60.32 0.86 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.654 1.581 . . . . 0.0 110.97 174.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.432 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 5.1 ttm180 -59.15 -50.65 73.23 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.854 -172.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 88' ' ' ILE . 13.6 mt -51.56 -34.41 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.117 1.767 . . . . 0.0 109.923 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.59 -45.31 65.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.015 -1.053 . . . . 0.0 109.252 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -66.71 -18.11 65.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.135 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.408 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 25.6 mt -61.82 -63.9 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 120.851 1.66 . . . . 0.0 110.761 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -81.11 22.43 0.64 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.641 0.655 . . . . 0.0 111.052 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m170 38.78 42.27 0.6 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 127.017 2.127 . . . . 0.0 113.738 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.29 -24.4 66.55 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.787 0.835 . . . . 0.0 109.649 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.84 -14.03 57.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.469 1.908 . . . . 0.0 114.386 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -111.99 8.85 20.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.566 0.746 . . . . 0.0 111.987 171.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.2 mt -105.72 -67.73 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.65 11.79 3.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.272 2.229 . . . . 0.0 112.74 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp 51.76 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.131 0.973 . . . . 0.0 110.484 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -165.95 156.24 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 123.935 0.894 . . . . 0.0 110.036 161.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 82.5 p -137.29 146.39 44.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -46.19 67.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 121.192 -0.943 . . . . 0.0 109.386 168.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 74.4 p -141.03 164.81 29.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.23 1.812 . . . . 0.0 109.354 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -36.46 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 C-N-CA 127.43 2.292 . . . . 0.0 111.8 170.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.72 -27.64 68.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.661 0.6 . . . . 0.0 110.81 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -88.04 -0.63 57.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.975 0.51 . . . . 0.0 111.78 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.376 1.07 . . . . 0.0 111.5 -177.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.237 0.416 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.99 173.02 12.02 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.155 1.782 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -142.43 141.44 32.21 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.242 2.217 . . . . 0.0 105.115 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.78 84.8 2.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.4 mt -76.67 131.24 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 126.857 2.063 . . . . 0.0 106.937 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -138.06 133.82 44.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 118.885 0.766 . . . . 0.0 109.535 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 96.8 mt-10 -128.27 100.3 5.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.91 0.884 . . . . 0.0 109.37 -176.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -131.51 -87.21 0.48 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.645 0.657 . . . . 0.0 111.034 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.28 83.48 0.37 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 163.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.87 -5.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.245 1 C-N-CA 133.81 4.844 . . . . 0.0 119.161 171.398 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 110' ' ' ALA . 4.7 mttp -88.07 168.27 12.95 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 130.03 3.332 . . . . 0.0 108.596 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.55 87.87 2.8 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 128.822 2.849 . . . . 0.0 108.419 159.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.75 152.45 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.447 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 6.4 t -133.02 122.12 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 158.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -80.43 98.63 7.6 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 170.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.87 135.15 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -135.5 87.11 2.29 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.535 0.734 . . . . 0.0 110.353 -163.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.2 177.34 33.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.47 122.75 48.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.38 164.09 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -172.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 168.44 179.95 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 131.344 3.858 . . . . 0.0 105.836 168.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.96 4.09 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.549 1.522 . . . . 0.0 113.491 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -6.28 57.78 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.652 1.181 . . . . 0.0 113.161 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -137.17 -32.57 0.78 Allowed 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 126.081 1.752 . . . . 0.0 113.489 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 p -59.95 -33.39 71.85 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.198 1.817 . . . . 0.0 109.58 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -57.71 7.94 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 130.613 3.565 . . . . 0.0 110.265 169.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.11 -43.86 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.039 0.836 . . . . 0.0 111.503 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.54 -29.23 35.81 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 117.049 -1.453 . . . . 0.0 109.994 171.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -63.81 -60.61 3.06 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.901 1.682 . . . . 0.0 111.882 170.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -73.66 -25.72 60.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.284 -163.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.63 -38.64 58.77 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -40.68 95.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 172.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -62.04 -45.63 92.7 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.135 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.55 -47.86 82.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 118.837 0.744 . . . . 0.0 110.959 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -49.97 -45.11 51.17 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.68 -33.27 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 O-C-N 121.66 -0.65 . . . . 0.0 111.687 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -80.85 -10.31 59.73 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.83 173.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.7 p -88.91 -49.84 6.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.169 1.804 . . . . 0.0 108.726 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -62.22 103.3 0.37 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.372 1.469 . . . . 0.0 112.963 -160.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -71.05 14.37 0.15 Allowed 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 113.845 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HZ3' ' HB3' ' A' ' 10' ' ' GLU . 5.3 mmmm -103.91 155.29 18.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.05 2.14 . . . . 0.0 108.552 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -89.09 3.99 49.94 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.683 -0.635 . . . . 0.0 112.409 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.42 123.34 13.51 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 119.902 1.228 . . . . 0.0 108.934 -169.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.0 143.02 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -126.07 93.62 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 165.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.7 tp -79.75 99.87 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -174.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 110.24 19.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.125 2.57 . . . . 0.0 110.758 -170.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.9 7.99 36.87 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -160.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 2.6 t -63.37 -16.12 59.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.129 1.332 . . . . 0.0 113.845 -167.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -80.59 -20.82 42.44 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.529 1.513 . . . . 0.0 111.56 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 t -99.89 122.68 52.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 126.18 1.792 . . . . 0.0 108.2 -164.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -113.07 -42.33 3.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 119.522 1.055 . . . . 0.0 111.384 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -100.61 140.59 34.67 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.092 0.86 . . . . 0.0 109.734 -173.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.8 ttm -154.43 128.9 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.023 1.729 . . . . 0.0 109.827 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 126.606 1.962 . . . . 0.0 109.852 -179.302 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.05 97.22 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.504 1.049 . . . . 0.0 112.303 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 mt -64.12 -59.77 4.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 117.892 0.846 . . . . 0.0 109.16 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.29 -17.16 59.04 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.788 -1.007 . . . . 0.0 114.174 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 m -57.61 -52.23 66.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 119.981 1.891 . . . . 0.0 108.894 165.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.62 -31.14 70.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 120.082 1.31 . . . . 0.0 111.449 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.85 -23.95 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.204 1.002 . . . . 0.0 110.857 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -68.07 -47.1 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.911 1.284 . . . . 0.0 109.408 162.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -66.18 -33.68 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.72 -52.02 63.77 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.032 -1.043 . . . . 0.0 109.856 168.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.27 -44.82 61.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.265 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -37.63 84.16 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.795 0.684 . . . . 0.0 110.646 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.56 83.7 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.003 0.819 . . . . 0.0 111.157 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -74.08 -32.33 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 117.833 -1.08 . . . . 0.0 111.6 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.07 -59.83 2.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -79.06 3.59 16.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.17 -173.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.55 60.4 5.45 Favored Glycine 0 C--N 1.319 -0.391 0 C-N-CA 127.508 2.48 . . . . 0.0 113.026 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.33 169.22 18.05 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.278 1.039 . . . . 0.0 113.133 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.67 163.21 19.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.41 1.884 . . . . 0.0 108.877 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -148.97 126.02 11.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.06 1.744 . . . . 0.0 106.849 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 46.6 mt -152.88 146.82 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 127.591 2.356 . . . . 0.0 105.123 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.71 167.11 12.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.412 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.77 166.75 25.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.021 1.329 . . . . 0.0 113.11 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 15.7 m 57.42 43.49 23.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.624 1.97 . . . . 0.0 112.798 158.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.58 109.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 130.377 3.471 . . . . 0.0 111.414 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -69.33 96.93 0.91 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 157.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 23.97 -79.44 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.171 2.188 . . . . 0.0 115.42 155.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -41.26 -66.02 0.38 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.41 1.884 . . . . 0.0 112.378 171.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.3 -60.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 C-N-CA 127.018 2.127 . . . . 0.0 107.38 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -32.34 -56.86 0.33 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 120.204 1.366 . . . . 0.0 111.245 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 31.7 mtt-85 -62.2 -46.57 88.29 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.115 -1.615 . . . . 0.0 113.893 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.03 -35.57 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 119.606 1.094 . . . . 0.0 110.08 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.62 -48.69 68.69 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.754 -1.216 . . . . 0.0 109.255 174.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 4.6 mppt? -56.38 -33.06 65.37 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 117.184 -1.389 . . . . 0.0 114.51 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -52.86 -58.96 5.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.611 1.55 . . . . 0.0 110.274 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.2 m -82.86 13.11 4.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.677 1.191 . . . . 0.0 110.766 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.7 m80 51.52 21.39 1.25 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.94 1.696 . . . . 0.0 113.059 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.98 -26.84 68.47 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.695 0.798 . . . . 0.0 110.891 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -17.96 1.59 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.25 1.82 . . . . 0.0 113.489 166.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -107.67 -14.86 14.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.581 1.552 . . . . 0.0 112.119 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.8 mt -90.89 -50.01 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 126.102 1.761 . . . . 0.0 106.877 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 8.6 m-85 -95.5 5.11 52.4 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 127.948 2.499 . . . . 0.0 111.813 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.35 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.591 -0.693 . . . . 0.0 109.222 -154.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -168.11 160.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 126.511 1.925 . . . . 0.0 106.218 158.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 p -132.11 141.9 49.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -31.14 70.08 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 120.39 -1.444 . . . . 0.0 109.505 169.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.1 p -143.12 156.26 44.76 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.231 1.012 . . . . 0.0 111.55 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.6 -21.27 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.593 0.757 . . . . 0.0 111.389 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.45 -16.57 63.95 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.195 1.398 . . . . 0.0 112.108 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.91 -4.56 46.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.468 1.031 . . . . 0.0 113.336 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.431 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.242 0.694 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.236 0.394 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.71 149.84 41.05 Favored 'General case' 0 N--CA 1.461 0.125 0 C-N-CA 123.384 0.674 . . . . 0.0 110.103 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -115.53 134.48 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.98 81.34 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.669 0.787 . . . . 0.0 109.409 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.2 mt -82.62 123.65 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.19 1.396 . . . . 0.0 109.129 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.51 147.91 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 127.605 2.362 . . . . 0.0 107.483 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -131.18 82.59 2.05 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -135.77 164.04 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 46.73 37.75 5.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.549 1.54 . . . . 0.0 111.609 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.2 16.4 10.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 128.967 2.907 . . . . 0.0 114.152 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -133.43 137.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.826 1.65 . . . . 0.0 107.715 -169.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.61 113.29 20.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mt -120.07 126.11 74.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.72 109.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -169.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -77.23 101.58 6.29 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.0 t -72.83 112.98 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 125.252 1.421 . . . . 0.0 108.072 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -113.65 122.32 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.95 1.7 . . . . 0.0 107.01 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.86 177.16 14.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.03 1.3 . . . . 0.0 111.223 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.81 111.52 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.336 1.854 . . . . 0.0 109.581 -164.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -83.59 62.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.206 1.402 . . . . 0.0 110.041 -153.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -81.77 175.93 10.03 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.037 -1.664 . . . . 0.0 109.298 165.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -8.19 4.67 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.171 -1.581 . . . . 0.0 114.306 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -81.33 -4.62 56.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.714 1.143 . . . . 0.0 111.791 170.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -138.24 -44.94 0.51 Allowed 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.771 1.228 . . . . 0.0 111.265 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -47.77 -39.0 16.78 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.895 1.678 . . . . 0.0 111.292 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -54.16 45.88 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 128.446 2.698 . . . . 0.0 112.021 172.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.26 -43.89 12.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.408 -1.432 . . . . 0.0 112.265 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tt -47.42 -34.31 7.03 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.361 1.065 . . . . 0.0 110.061 165.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -68.96 -54.17 16.79 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 119.763 1.165 . . . . 0.0 110.73 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.64 -28.94 66.15 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.409 1.084 . . . . 0.0 111.032 -173.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -96.26 -36.86 10.76 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.858 1.263 . . . . 0.0 108.912 -169.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.1 -34.84 68.95 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.582 173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -57.99 8.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 166.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -40.54 95.8 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.912 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.51 -50.51 59.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.549 1.14 . . . . 0.0 110.551 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.07 -29.11 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.915 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -23.7 61.77 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.909 1.284 . . . . 0.0 112.736 174.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -92.39 -60.51 1.82 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 120.407 1.458 . . . . 0.0 108.098 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -58.32 122.92 14.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.66 0.743 . . . . 0.0 111.99 -153.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.6 p -65.46 -9.57 26.76 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.841 -1.162 . . . . 0.0 113.999 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -78.76 119.84 22.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -75.36 6.9 3.98 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.049 -0.407 . . . . 0.0 111.619 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.65 125.42 33.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.109 1.763 . . . . 0.0 106.561 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.17 137.74 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.91 99.85 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 126.84 2.056 . . . . 0.0 105.948 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 tp -84.13 83.75 7.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.203 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.77 104.78 2.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.666 0.787 . . . . 0.0 111.151 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.04 18.07 7.21 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.567 0.747 . . . . 0.0 112.45 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -62.31 -15.79 50.06 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.8 m -107.98 -11.44 15.32 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.519 1.054 . . . . 0.0 112.339 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.05 144.43 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 119.445 1.02 . . . . 0.0 108.26 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -141.92 -39.87 0.37 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.161 . . . . 0.0 111.253 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -104.75 149.38 25.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.032 0.933 . . . . 0.0 109.352 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.3 ttp -157.83 123.71 4.66 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.705 1.202 . . . . 0.0 110.847 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.535 0.378 0 C-N-CA 125.724 1.61 . . . . 0.0 110.069 173.642 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.53 -34.69 49.86 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.284 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.6 tp -76.2 -17.66 59.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.251 1.02 . . . . 0.0 113.602 -173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.71 -34.44 7.82 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 118.657 -1.08 . . . . 0.0 110.872 164.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -56.49 -52.36 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.526 1.663 . . . . 0.0 111.294 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.85 -28.02 67.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 122.612 2.46 . . . . 0.0 111.795 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.78 -35.06 63.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 121.533 -0.729 . . . . 0.0 110.632 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.92 -50.85 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 120.849 -1.157 . . . . 0.0 109.008 165.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.495 0.718 . . . . 0.0 109.398 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.89 -52.41 63.21 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.686 -0.633 . . . . 0.0 110.56 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -52.49 -36.23 54.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.218 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -36.78 74.66 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.692 0.678 . . . . 0.0 112.194 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.5 65.29 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.619 1.168 . . . . 0.0 110.252 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -72.89 -30.65 64.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 117.111 -1.423 . . . . 0.0 112.519 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.91 -58.67 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 119.923 1.238 . . . . 0.0 108.233 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -73.86 -3.24 27.58 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.46 59.02 11.38 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 126.73 2.109 . . . . 0.0 112.123 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.13 170.58 15.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 117.772 0.786 . . . . 0.0 111.091 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.82 161.01 31.25 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 166.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -139.2 113.9 9.2 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 164.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 15.6 mt -124.84 150.08 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -89.4 -139.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.0 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.5 t 164.84 167.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.32 3.048 . . . . 0.0 109.781 154.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m 61.34 61.37 1.54 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.034 2.134 . . . . 0.0 113.076 165.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.44 112.55 15.59 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.129 2.572 . . . . 0.0 112.122 -175.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -76.07 142.38 41.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 117.218 -1.372 . . . . 0.0 108.125 165.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -34.1 -54.29 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.324 1.849 . . . . 0.0 114.579 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -62.15 -62.48 1.75 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.104 0.865 . . . . 0.0 111.848 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.8 mm -49.89 -53.73 9.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 107.88 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.43 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 6.1 t -40.54 -58.52 1.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.642 1.977 . . . . 0.0 110.051 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -51.71 -54.17 31.26 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 123.862 0.865 . . . . 0.0 110.859 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.442 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 64.2 mt -56.84 -39.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 126.967 2.107 . . . . 0.0 109.376 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.28 -44.08 92.79 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 120.585 -1.322 . . . . 0.0 109.89 174.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.43 ' HE2' ' O ' ' A' ' 89' ' ' SER . 1.5 mppt? -67.74 -26.32 66.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 7.3 mt -57.67 -58.14 9.66 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.213 1.405 . . . . 0.0 110.797 -174.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.45 19.47 2.79 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.818 0.735 . . . . 0.0 111.109 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.3 m170 46.87 34.86 2.84 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 126.373 1.869 . . . . 0.0 113.43 -170.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.39 -29.53 70.6 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.726 0.811 . . . . 0.0 109.336 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.55 -11.01 2.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.362 2.265 . . . . 0.0 116.034 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -113.0 -5.99 13.76 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.887 1.676 . . . . 0.0 112.67 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.77 -65.2 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -84.44 16.3 3.19 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 126.903 2.081 . . . . 0.0 111.932 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 47.23 -168.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.596 1.089 . . . . 0.0 110.676 -168.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -161.99 161.09 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.59 155.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 109' ' ' GLU . 61.7 p -146.38 150.72 36.22 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 108.885 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.34 -34.22 65.52 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 163.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -144.75 157.11 44.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 123.005 0.522 . . . . 0.0 110.254 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.51 -39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 127.901 2.48 . . . . 0.0 111.542 161.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -59.04 -26.49 64.62 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.227 0.611 . . . . 0.0 111.198 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' HB3' ' HB ' ' A' ' 104' ' ' THR . 1.0 OUTLIER -100.22 4.31 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.271 1.428 . . . . 0.0 111.706 -174.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.167 -174.228 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 C--O 1.237 0.413 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 162.38 32.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.26 1.024 . . . . 0.0 109.519 169.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -145.84 105.81 4.01 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.18 83.72 1.81 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -167.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 mt -83.9 133.91 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.865 2.066 . . . . 0.0 108.278 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.0 t -135.24 143.3 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 126.259 1.824 . . . . 0.0 108.53 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -136.19 37.47 2.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.68 1.992 . . . . 0.0 109.126 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -60.64 -11.69 8.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.452 1.101 . . . . 0.0 113.029 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -142.71 -175.47 4.5 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.382 2.673 . . . . 0.0 105.95 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.87 4.81 1.32 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -174.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -114.31 123.23 48.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.13 112.86 16.76 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.149 0.98 . . . . 0.0 108.61 169.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -122.46 126.25 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 106.617 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.86 108.46 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -172.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -69.18 95.05 0.72 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 124.068 0.947 . . . . 0.0 109.154 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 t -67.65 131.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 164.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.3 113.19 12.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.96 -164.43 38.08 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -144.14 15.22 1.69 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.751 1.275 . . . . 0.0 112.891 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.267 32.8 mt 40.74 70.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.612 1 C-N-CA 133.15 4.58 . . . . 0.0 113.362 171.827 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -109.06 -174.98 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 127.85 2.46 . . . . 0.0 108.947 172.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.22 -10.71 60.14 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.475 -1.39 . . . . 0.0 114.559 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -5.05 45.81 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.781 -1.199 . . . . 0.0 111.646 171.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -143.67 -41.61 0.29 Allowed 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.522 -160.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -61.12 -39.44 90.03 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.638 1.108 . . . . 0.0 108.863 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.94 -50.23 5.84 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.544 1.937 . . . . 0.0 112.217 164.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -55.61 3.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.807 1.243 . . . . 0.0 109.942 -170.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tt -44.73 -33.55 1.91 Allowed 'General case' 0 CA--C 1.511 -0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 110.192 169.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -67.05 -56.59 9.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 120.074 1.306 . . . . 0.0 112.014 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.55 -26.78 65.58 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 118.662 0.665 . . . . 0.0 110.794 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -81.21 -38.06 27.62 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.483 1.113 . . . . 0.0 108.82 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -35.85 81.66 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.724 166.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.16 70.21 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -54.76 29.33 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.368 1.067 . . . . 0.0 110.19 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -49.25 -60.47 2.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.041 2.137 . . . . 0.0 110.341 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -27.42 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.45 -173.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 m -78.98 -49.09 13.3 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.894 1.679 . . . . 0.0 112.228 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.4 14.56 1.2 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.866 1.667 . . . . 0.0 112.361 -164.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 t -121.79 118.0 27.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.664 1.586 . . . . 0.0 109.243 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 11.02 0.43 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.942 1.697 . . . . 0.0 111.946 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.21 119.03 37.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 119.619 -1.926 . . . . 0.0 106.982 -164.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.86 -33.91 76.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.822 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 140.29 31.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.0 mm -126.1 124.03 65.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -111.86 103.31 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 174.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 tp -84.66 101.85 12.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -84.87 119.39 25.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 mt -111.81 19.98 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.546 0.338 . . . . 0.0 111.684 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -55.42 -22.43 20.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.108 1.763 . . . . 0.0 114.119 -170.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -108.67 -6.5 15.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.327 1.051 . . . . 0.0 112.914 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -92.57 135.99 26.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -130.31 -40.19 1.29 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.529 0.732 . . . . 0.0 112.214 -174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -75.48 -78.86 0.1 Allowed 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.998 0.919 . . . . 0.0 110.25 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.8 ttp 52.91 125.32 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 0 C-N-CA 128.442 2.697 . . . . 0.0 115.363 -163.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t0 . . . . . 0 N--CA 1.451 -0.423 0 C-N-CA 126.975 2.11 . . . . 0.0 110.657 -179.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.9 -42.59 53.9 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 125.769 1.652 . . . . 0.0 113.115 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.7 tp -75.78 -16.62 60.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.32 -36.64 5.86 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 118.231 -1.316 . . . . 0.0 110.631 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -52.47 -50.81 61.95 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 119.992 1.896 . . . . 0.0 110.244 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.47 -29.55 66.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.866 2.121 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.71 -28.75 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 O-C-N 121.168 -0.957 . . . . 0.0 109.899 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.62 -53.28 49.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.639 -1.288 . . . . 0.0 108.862 165.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mm -54.72 -39.06 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 125.574 1.55 . . . . 0.0 108.968 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 HD11 ' HE3' ' A' ' 73' ' ' LYS . 38.0 tp -63.78 -49.5 72.7 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 120.532 -1.355 . . . . 0.0 111.039 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -54.14 -35.53 62.32 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -68.86 -42.84 76.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.73 1.212 . . . . 0.0 112.099 176.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.67 72.28 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.881 0.872 . . . . 0.0 109.924 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HE3' HD11 ' A' ' 69' ' ' LEU . 22.1 mmtp -72.36 -33.68 67.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.279 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -53.5 -61.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.812 1.187 . . . . 0.0 108.498 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.36 -3.9 23.24 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.852 0.834 . . . . 0.0 111.88 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.06 58.04 13.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 129.53 3.443 . . . . 0.0 111.746 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -141.6 -175.24 4.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.889 0.845 . . . . 0.0 111.902 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -100.73 159.87 14.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.931 1.293 . . . . 0.0 107.546 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -151.9 108.15 3.42 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.4 mt -128.91 152.56 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.996 1.318 . . . . 0.0 109.025 -174.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.94 176.55 5.07 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 119.096 0.862 . . . . 0.0 108.933 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.26 169.36 16.03 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.77 -0.581 . . . . 0.0 110.34 -167.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m 43.5 64.61 1.19 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.936 1.695 . . . . 0.0 112.843 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 111.79 6.92 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.378 2.671 . . . . 0.0 108.292 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -69.17 158.24 35.3 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 156.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.45 -50.16 42.22 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.108 0.963 . . . . 0.0 111.067 -172.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.7 m -57.92 -68.19 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.999 2.12 . . . . 0.0 110.776 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.6 mm -52.87 -50.34 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.661 1.184 . . . . 0.0 109.899 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -42.14 -57.66 2.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 110.955 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -54.17 30.14 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.218 1.407 . . . . 0.0 110.292 -175.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.416 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 46.5 mt -52.55 -44.65 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.285 2.234 . . . . 0.0 109.33 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.63 -33.68 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 120.858 -1.151 . . . . 0.0 109.991 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -24.05 55.01 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 168.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 16.8 mt -53.74 -68.18 0.2 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 120.951 1.705 . . . . 0.0 109.939 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -85.47 23.01 1.42 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.352 0.661 . . . . 0.0 111.212 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 50.76 34.67 10.47 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 124.663 1.185 . . . . 0.0 112.204 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.27 -26.86 66.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -64.76 -3.87 3.74 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.044 2.138 . . . . 0.0 113.479 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -106.32 -0.12 24.59 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 118.027 -2.921 . . . . 0.0 112.559 166.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.8 mt -111.13 -70.97 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.02 10.43 4.31 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.5 1.12 . . . . 0.0 112.128 173.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.513 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 6.7 ttpt 45.2 -153.4 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.025 0.93 . . . . 0.0 109.23 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.513 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.93 161.46 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 127.138 2.175 . . . . 0.0 107.586 171.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -139.36 157.03 46.58 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -42.54 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 164.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 p -136.06 164.94 26.85 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.16 -33.04 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.512 1.525 . . . . 0.0 110.573 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.55 -8.55 48.2 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.206 1.003 . . . . 0.0 112.31 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.08 9.72 28.3 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.988 1.267 . . . . 0.0 113.57 173.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.28 177.033 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -136.45 162.78 32.12 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.496 1.118 . . . . 0.0 111.541 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -141.89 95.98 2.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 128.097 2.559 . . . . 0.0 107.7 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 92.99 8.26 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.1 mt -88.99 122.23 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 124.425 1.09 . . . . 0.0 108.196 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 t -139.87 118.22 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 124.997 1.319 . . . . 0.0 109.661 -169.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.8 -12.47 60.7 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 38.25 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 130.954 3.702 . . . . 0.0 113.231 -174.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.96 117.27 11.91 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.868 1.213 . . . . 0.0 108.918 147.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 54.7 30.22 13.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.433 2.293 . . . . 0.0 115.073 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -147.89 114.55 6.02 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.761 -1.212 . . . . 0.0 107.809 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 88.83 5.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.27 151.88 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 83.8 t -139.27 107.46 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -76.7 94.95 3.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.5 142.0 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -147.92 110.76 4.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.26 -162.06 34.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.89 103.29 3.88 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mt -76.65 111.64 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -161.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -144.92 -162.01 1.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 164.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -7.48 1.56 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -98.52 4.27 48.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 120.551 1.523 . . . . 0.0 112.576 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -148.52 -28.81 0.3 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 118.404 -0.807 . . . . 0.0 112.733 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -57.28 -44.66 84.22 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 120.501 1.501 . . . . 0.0 108.15 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.8 -27.67 52.4 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 126.413 1.885 . . . . 0.0 113.539 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.05 -43.91 3.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.784 2.034 . . . . 0.0 109.593 -170.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.67 -33.82 35.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.837 -1.164 . . . . 0.0 109.397 167.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.43 -54.42 24.41 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 118.424 0.556 . . . . 0.0 111.965 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.75 -32.73 74.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.133 0.879 . . . . 0.0 110.909 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.99 -34.55 24.33 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -170.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -44.44 95.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.022 164.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -56.84 -48.32 78.31 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.451 1.023 . . . . 0.0 109.164 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -51.79 -53.18 42.79 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 125.189 1.396 . . . . 0.0 110.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.13 -56.04 26.92 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.894 1.677 . . . . 0.0 110.158 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -37.59 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.617 1.967 . . . . 0.0 110.702 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -67.83 -50.95 53.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.391 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -77.96 -25.66 48.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.457 1.026 . . . . 0.0 111.146 -166.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -70.28 112.84 6.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.947 0.88 . . . . 0.0 110.505 -170.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 m -57.67 -19.38 26.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.694 0.798 . . . . 0.0 112.645 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -78.98 131.67 36.4 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -170.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -31.62 72.17 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.815 170.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 120.44 42.3 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.953 1.301 . . . . 0.0 109.356 -160.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.21 129.59 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 105.663 -1.976 . . . . 0.0 105.663 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.9 95.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -80.01 100.91 8.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.15 120.87 27.13 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 125.993 1.717 . . . . 0.0 108.452 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 1.9 mt -123.05 38.05 4.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -68.02 -27.99 67.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.1 -0.375 . . . . 0.0 111.022 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -82.81 -28.99 29.84 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.624 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 12.2 p -73.67 131.55 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.325 1.42 . . . . 0.0 111.596 -169.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 m -110.92 -27.03 8.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.577 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -110.61 145.32 38.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.105 1.32 . . . . 0.0 110.472 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 ttp -149.98 116.61 5.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.249 1.42 . . . . 0.0 108.976 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 N--CA 1.45 -0.468 0 C-N-CA 127.032 2.133 . . . . 0.0 109.025 170.74 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.426 0.155 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.61 -34.85 73.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 124.222 0.915 . . . . 0.0 112.221 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.91 -53.83 18.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.428 1.114 . . . . 0.0 110.265 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.96 -29.41 59.12 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.97 -0.905 . . . . 0.0 111.628 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.5 m -58.74 -53.86 53.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.405 1.103 . . . . 0.0 109.485 172.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.75 -33.97 67.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.603 1.547 . . . . 0.0 110.933 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.88 -39.04 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.687 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.18 -55.54 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.854 1.207 . . . . 0.0 108.684 167.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.34 -45.48 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.764 0.825 . . . . 0.0 109.138 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.2 -54.79 41.66 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.496 0.718 . . . . 0.0 110.923 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -55.0 -30.97 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.386 0.275 . . . . 0.0 111.019 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.79 23.91 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.74 2.016 . . . . 0.0 111.639 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.64 -44.05 18.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.771 1.228 . . . . 0.0 111.911 172.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.15 -41.95 80.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 116.857 -1.544 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.93 -50.02 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 120.074 1.307 . . . . 0.0 109.168 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.86 -8.09 55.44 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -172.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.89 69.55 1.33 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 128.691 3.043 . . . . 0.0 110.475 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -145.72 169.69 17.99 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.83 107.98 19.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 130.057 3.343 . . . . 0.0 106.736 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -108.0 112.36 24.9 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 108.827 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.45 153.29 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 124.106 0.963 . . . . 0.0 108.433 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.6 173.45 6.61 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.901 0.88 . . . . 0.0 109.959 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.66 160.88 26.18 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.86 0.864 . . . . 0.0 111.243 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 m 59.62 50.45 7.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.56 1.544 . . . . 0.0 113.12 167.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.25 97.78 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 131.379 3.871 . . . . 0.0 112.289 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -72.18 87.33 1.09 Allowed 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 127.153 2.181 . . . . 0.0 107.035 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 24.42 -76.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.124 3.37 . . . . 0.0 115.065 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.19 -66.37 0.36 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.639 1.176 . . . . 0.0 110.993 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -48.47 -58.63 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 125.291 1.436 . . . . 0.0 107.869 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.424 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 1.3 t -34.48 -60.38 0.42 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.723 1.601 . . . . 0.0 113.406 173.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -54.34 21.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.99 1.268 . . . . 0.0 110.943 173.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.498 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 67.9 mt -67.33 -23.67 30.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 124.695 1.198 . . . . 0.0 108.957 -161.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.59 -44.28 28.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.9 -1.75 . . . . 0.0 108.918 174.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 89' ' ' SER . 2.3 mppt? -70.79 -28.52 64.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.498 ' HG ' ' HA ' ' A' ' 91' ' ' ILE 0.306 0.1 OUTLIER -56.24 -36.59 68.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.871 1.269 . . . . 0.0 109.575 -173.943 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 p -98.78 7.9 45.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.595 2.758 . . . . 0.0 112.829 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m170 59.08 22.48 10.57 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 120.256 -1.528 . . . . 0.0 113.427 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.15 -13.64 62.01 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.495 -1.378 . . . . 0.0 110.288 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.91 -14.96 25.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.86 2.064 . . . . 0.0 114.76 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -111.17 -0.83 16.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.774 0.83 . . . . 0.0 112.232 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.2 mt -96.47 -38.4 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.332 1.053 . . . . 0.0 108.62 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -111.22 11.05 21.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.462 1.905 . . . . 0.0 112.234 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.528 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 9.1 ttpp 47.02 -159.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -157.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.528 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -164.87 168.37 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 126.525 1.93 . . . . 0.0 106.997 157.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.2 p -136.83 168.88 18.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 165.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.37 -45.27 22.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 157.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 p -134.88 156.89 48.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.195 1.398 . . . . 0.0 110.703 -163.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.66 -25.22 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.092 0.957 . . . . 0.0 110.901 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -67.5 -5.45 15.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.773 2.429 . . . . 0.0 112.992 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.55 13.22 8.73 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.734 0.813 . . . . 0.0 111.929 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 116.642 -1.647 . . . . 0.0 110.423 175.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -144.17 167.4 22.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.126 2.97 . . . . 0.0 110.128 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -147.5 114.07 6.0 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.787 1.635 . . . . 0.0 108.39 -171.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.65 83.42 2.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.779 1.632 . . . . 0.0 108.266 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 mt -82.08 142.23 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.7 1.2 . . . . 0.0 108.676 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -141.71 141.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 125.865 1.666 . . . . 0.0 108.272 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 12' ' ' ASP . 39.3 mt-10 -129.65 -136.02 0.22 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.899 1.279 . . . . 0.0 108.425 167.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.57 -2.99 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.677 2.391 . . . . 0.0 116.864 -169.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 10' ' ' GLU . 4.1 t70 -104.49 27.65 7.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.183 2.193 . . . . 0.0 109.526 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 59.73 -16.71 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.672 2.789 . . . . 0.0 116.384 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -98.76 169.05 9.75 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 128.452 2.701 . . . . 0.0 108.942 164.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.45 115.42 27.24 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 129.317 3.047 . . . . 0.0 107.446 164.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.58 125.67 71.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.04 104.09 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -169.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 mtp-105 -72.04 101.18 2.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.17 133.23 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 165.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -124.83 113.65 18.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.42 166.48 14.45 Favored Glycine 0 N--CA 1.465 0.574 0 CA-C-N 118.887 0.767 . . . . 0.0 111.302 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.9 179.1 6.78 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.511 1.124 . . . . 0.0 110.287 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.84 83.94 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 122.328 1.061 . . . . 0.0 108.607 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.8 -176.28 2.89 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.488 1.515 . . . . 0.0 108.463 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.44 -12.15 3.6 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.144 -1.597 . . . . 0.0 114.827 163.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -10.65 49.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 120.264 1.393 . . . . 0.0 111.521 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -133.71 -48.3 0.81 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.254 -164.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -53.87 -37.15 63.4 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 120.195 1.361 . . . . 0.0 110.017 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -26.34 8.16 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.479 1.111 . . . . 0.0 113.497 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -120.26 -49.87 2.26 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.767 2.027 . . . . 0.0 111.588 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -42.56 -35.53 1.11 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.211 1.404 . . . . 0.0 110.849 162.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -63.16 -65.15 0.73 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 119.323 0.965 . . . . 0.0 110.095 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.05 -20.55 66.21 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.587 0.63 . . . . 0.0 112.103 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.62 -41.56 21.3 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.0 mt -67.56 -28.93 68.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.995 0.918 . . . . 0.0 112.886 170.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -55.27 25.97 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.865 1.266 . . . . 0.0 108.6 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -45.54 86.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.148 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.1 -57.85 4.64 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.57 1.548 . . . . 0.0 110.769 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -30.69 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-N 118.494 0.588 . . . . 0.0 112.182 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -84.77 -10.34 57.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.216 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -109.37 -27.77 9.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.656 1.571 . . . . 0.0 112.091 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -65.26 115.89 6.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.144 -0.973 . . . . 0.0 110.001 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 4.37 4.69 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 120.487 -1.383 . . . . 0.0 114.243 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.08 149.01 23.4 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 119.141 -2.225 . . . . 0.0 108.472 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -87.34 -1.38 57.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 123.17 35.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 -172.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -124.12 125.52 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.47 -2.419 . . . . 0.0 104.47 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.99 106.84 19.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 tp -87.65 97.68 11.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.175 0.99 . . . . 0.0 108.397 -175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.08 114.05 13.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.52 16.13 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 110.595 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.45 -1.68 2.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.905 1.282 . . . . 0.0 113.634 -165.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.02 -4.56 4.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.435 1.494 . . . . 0.0 113.307 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.31 130.99 35.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.42 -50.29 2.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -98.41 150.3 21.76 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.879 0.871 . . . . 0.0 108.753 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.0 ttm -151.35 112.31 4.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.875 2.07 . . . . 0.0 106.322 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 CA--C 1.534 0.343 0 O-C-N 123.635 0.585 . . . . 0.0 110.432 172.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.82 85.69 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 118.895 0.77 . . . . 0.0 114.523 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -67.78 -52.89 31.98 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 117.328 0.564 . . . . 0.0 110.475 -169.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.07 -29.03 69.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.845 -0.975 . . . . 0.0 112.629 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.3 m -58.4 -53.01 63.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 115.3 -2.286 . . . . 0.0 110.367 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.83 -37.91 60.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 122.802 2.546 . . . . 0.0 109.85 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.82 -28.34 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 O-C-N 121.45 -0.781 . . . . 0.0 110.437 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.8 -51.04 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.685 1.129 . . . . 0.0 108.818 161.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.37 -37.86 75.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.19 -55.65 32.19 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.031 -1.043 . . . . 0.0 109.092 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -57.07 -38.35 73.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.592 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -33.58 75.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 118.054 0.388 . . . . 0.0 111.604 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.3 70.46 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 109.973 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.92 -31.94 69.98 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.827 -0.546 . . . . 0.0 110.466 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -57.94 -46.49 87.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 118.973 0.806 . . . . 0.0 110.423 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.41 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 35.0 m-80 -82.31 -4.0 56.39 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.249 1.02 . . . . 0.0 112.88 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.7 61.82 4.74 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.478 1.99 . . . . 0.0 111.25 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 15.6 ptpt -153.98 -176.97 6.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.015 0.907 . . . . 0.0 112.698 -175.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.3 169.6 9.46 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.529 1.531 . . . . 0.0 111.193 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.55 107.89 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 112.734 -2.03 . . . . 0.0 109.601 -172.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mt -133.88 144.47 35.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 124.676 1.19 . . . . 0.0 109.38 -172.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.77 152.41 34.43 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -171.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -149.95 165.21 33.32 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.03 -160.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m 56.69 46.25 20.48 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.555 1.645 . . . . 0.0 112.289 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.76 101.07 1.0 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 128.705 2.802 . . . . 0.0 111.476 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -59.89 162.38 5.55 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.497 170.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -49.04 -56.48 8.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.509 1.124 . . . . 0.0 112.041 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -63.13 -58.22 7.97 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.879 0.872 . . . . 0.0 111.364 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mm -57.51 -51.77 65.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-O 116.48 -1.724 . . . . 0.0 107.494 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -37.88 -56.31 1.12 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.654 1.57 . . . . 0.0 109.904 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -47.57 78.18 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.429 1.092 . . . . 0.0 112.112 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.5 mt -70.64 11.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.789 2.436 . . . . 0.0 111.486 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.2 -39.49 5.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 118.664 -2.522 . . . . 0.0 109.251 160.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.71 63.64 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.022 -1.049 . . . . 0.0 113.444 174.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -34.21 64.13 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.571 1.948 . . . . 0.0 114.678 -172.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.06 21.41 11.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.848 1.259 . . . . 0.0 110.073 176.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.7 m80 56.06 40.97 30.18 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.664 1.185 . . . . 0.0 110.396 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 34.8 mt -79.34 -23.71 43.24 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 109.821 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.67 -5.25 3.8 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.038 2.135 . . . . 0.0 114.933 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -114.36 1.75 14.52 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.118 1.367 . . . . 0.0 112.723 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.9 mt -103.9 -30.02 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.703 1.201 . . . . 0.0 108.109 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 2.5 m-85 -127.46 16.96 7.05 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.273 1.829 . . . . 0.0 111.465 -175.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 10.8 tttp 48.75 -160.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -165.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.477 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -171.41 154.55 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 125.47 1.508 . . . . 0.0 107.821 158.093 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.531 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 44.9 p -142.85 118.23 10.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -167.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.2 -33.66 65.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.053 -1.654 . . . . 0.0 110.532 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.3 p -136.43 162.93 31.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 123.901 0.751 . . . . 0.0 111.54 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.95 -24.81 24.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.614 1.566 . . . . 0.0 111.516 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.23 -19.84 63.95 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.958 0.903 . . . . 0.0 112.793 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.19 -2.43 56.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.719 1.145 . . . . 0.0 113.071 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.267 0 CA-C-N 119.228 0.922 . . . . 0.0 111.224 -174.055 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -127.74 165.69 19.59 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.075 2.15 . . . . 0.0 110.688 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.1 mt -136.83 151.02 48.66 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.05 2.14 . . . . 0.0 105.708 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.76 83.61 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -74.36 128.39 36.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.1 t -139.42 131.34 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -133.52 98.05 4.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.66 1.184 . . . . 0.0 110.552 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -135.25 -48.84 0.72 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.463 0.705 . . . . 0.0 110.157 168.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -80.49 59.4 3.5 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.422 1.106 . . . . 0.0 110.258 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 54.57 10.01 0.31 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.346 2.658 . . . . 0.0 115.321 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -140.86 162.56 35.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.041 -2.287 . . . . 0.0 106.386 -165.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.08 92.16 3.93 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.011 1.324 . . . . 0.0 108.695 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.55 147.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG11 ' HA ' ' A' ' 49' ' ' LEU . 1.2 p -148.96 112.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 118.268 0.485 . . . . 0.0 109.807 170.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -81.42 96.43 7.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.419 1.088 . . . . 0.0 108.833 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.4 123.9 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 109.065 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.44 115.88 15.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.214 1.805 . . . . 0.0 108.724 -169.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.32 167.09 25.68 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -83.88 173.66 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.497 1.119 . . . . 0.0 111.312 -161.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.56 40.91 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 121.622 0.725 . . . . 0.0 109.749 -164.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -90.09 -172.86 3.64 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 117.821 -3.049 . . . . 0.0 107.641 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.61 -0.16 0.25 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.156 2.182 . . . . 0.0 114.994 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -95.03 -7.84 38.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 127.348 2.259 . . . . 0.0 113.069 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -148.84 -41.23 0.15 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.145 -162.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.1 p -56.76 -36.3 69.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.384 0.993 . . . . 0.0 108.909 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -24.76 63.4 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.389 1.475 . . . . 0.0 113.313 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -85.61 -60.79 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.22 -32.33 0.48 Allowed 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 127.956 2.503 . . . . 0.0 111.342 169.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -64.83 -54.46 30.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 118.573 0.624 . . . . 0.0 111.362 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -71.31 -6.23 38.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.447 1.021 . . . . 0.0 113.152 -170.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.52 -46.05 4.67 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 125.952 1.701 . . . . 0.0 106.482 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.12 -35.26 80.03 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.221 -0.924 . . . . 0.0 111.971 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.87 -13.13 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.106 -0.996 . . . . 0.0 111.313 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.41 -55.95 3.66 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 120.932 -1.105 . . . . 0.0 108.959 168.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.05 -54.82 2.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 128.314 2.646 . . . . 0.0 111.181 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.46 -20.34 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -77.64 -24.78 49.42 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.996 165.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 t -129.24 56.83 1.67 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.943 1.701 . . . . 0.0 109.66 -167.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -133.5 -39.65 0.9 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.004 1.321 . . . . 0.0 112.537 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m 51.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.61 133.69 36.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 7.25 1.76 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 113.51 5.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 120.533 1.515 . . . . 0.0 109.575 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.66 132.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.55 97.86 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 C-N-CA 127.434 2.294 . . . . 0.0 106.537 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' HA ' HG11 ' A' ' 17' ' ' VAL . 13.4 tp -85.84 93.55 8.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 113.047 -1.888 . . . . 0.0 108.476 -174.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -89.92 121.65 32.22 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 125.331 1.453 . . . . 0.0 112.328 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.78 29.61 6.77 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -165.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 13.1 p -69.18 -5.54 23.21 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.714 -1.241 . . . . 0.0 112.938 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -122.1 -6.25 8.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 120.573 1.533 . . . . 0.0 114.089 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.28 -177.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.591 1.541 . . . . 0.0 108.76 157.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -150.13 -41.0 0.13 Allowed 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.876 -1.14 . . . . 0.0 111.469 152.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.07 124.97 41.22 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -168.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.7 ttm -133.42 124.34 26.94 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 125.45 1.5 . . . . 0.0 110.176 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.54 0.572 0 C-N-CA 127.832 2.453 . . . . 0.0 109.72 174.786 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.24 -32.32 6.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 125.074 1.321 . . . . 0.0 113.381 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.12 -52.19 50.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.857 1.263 . . . . 0.0 110.057 -167.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -9.1 44.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 123.941 0.782 . . . . 0.0 113.226 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 m -65.04 -51.29 62.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.868 169.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.59 -30.18 67.01 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.511 1.505 . . . . 0.0 110.816 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.6 -38.16 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 122.968 0.507 . . . . 0.0 110.773 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -57.43 -50.72 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 119.359 0.981 . . . . 0.0 109.339 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mm -59.32 -41.7 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.894 0.878 . . . . 0.0 108.762 -172.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -55.95 27.76 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.225 1.01 . . . . 0.0 111.18 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -47.03 -41.86 17.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.918 0.487 . . . . 0.0 110.479 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -34.13 77.11 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.46 76.41 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.312 1.445 . . . . 0.0 109.522 170.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -73.76 -28.09 61.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.95 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.86 -59.77 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 C-N-CA 124.385 1.074 . . . . 0.0 108.945 165.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -72.02 -5.13 32.84 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.04 62.67 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.751 1.167 . . . . 0.0 112.92 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.71 174.43 10.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.253 1.527 . . . . 0.0 112.343 167.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.9 162.64 13.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.82 1.248 . . . . 0.0 109.655 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -145.3 133.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.717 1.607 . . . . 0.0 108.612 -175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 65.8 mt -153.06 148.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 129.079 2.951 . . . . 0.0 105.891 -170.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.77 172.53 9.75 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.414 0.686 . . . . 0.0 110.148 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -155.6 152.47 28.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.609 0.568 . . . . 0.0 111.382 -160.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 52' ' ' SER . 5.0 m 54.38 55.8 7.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.148 2.579 . . . . 0.0 115.33 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.566 ' CD2' ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -61.82 119.84 9.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 130.551 3.541 . . . . 0.0 110.654 178.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -85.62 159.29 19.88 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.548 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.09 -14.58 61.99 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -73.28 -79.71 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 161.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.1 mm -40.91 -58.16 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 C-N-CA 128.213 2.605 . . . . 0.0 110.079 -173.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 t -45.71 -59.13 2.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.091 1.756 . . . . 0.0 110.268 -171.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -60.03 -43.48 95.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.393 -0.817 . . . . 0.0 110.609 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.4 -36.0 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.786 1.235 . . . . 0.0 110.729 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.93 -45.41 74.39 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.814 -1.179 . . . . 0.0 110.126 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.54 75.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 117.966 -1.016 . . . . 0.0 113.331 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.19 -55.95 9.13 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.093 1.757 . . . . 0.0 110.553 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.32 8.75 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.359 1.864 . . . . 0.0 112.503 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.7 m80 52.96 27.42 5.55 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.103 1.319 . . . . 0.0 113.389 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.72 -19.79 60.7 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.687 1.195 . . . . 0.0 110.518 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.52 -6.69 5.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.91 2.084 . . . . 0.0 114.497 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.49 6.18 7.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.674 1.99 . . . . 0.0 111.232 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.0 mt -107.56 -46.04 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.733 1.613 . . . . 0.0 107.492 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.8 m-30 -104.31 13.43 32.12 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 126.169 1.788 . . . . 0.0 109.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.426 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 6.6 ttpp 46.47 -159.6 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.108 0.867 . . . . 0.0 109.689 -161.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.426 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.9 OUTLIER -167.89 163.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.077 2.151 . . . . 0.0 105.535 152.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.5 p -139.0 143.32 38.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.14 -33.2 74.94 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.81 172.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.5 p -141.55 166.6 24.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.028 0.831 . . . . 0.0 111.979 166.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.7 -23.53 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 126.419 1.888 . . . . 0.0 112.394 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.76 1.27 50.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.127 1.371 . . . . 0.0 112.016 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.8 7.44 37.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.299 0.954 . . . . 0.0 113.084 161.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 119.287 0.949 . . . . 0.0 110.121 -178.634 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -151.21 168.38 24.88 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.876 2.07 . . . . 0.0 110.84 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 mt -145.9 105.73 3.99 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.131 1.332 . . . . 0.0 113.083 -165.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -85.45 67.96 10.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.202 1.001 . . . . 0.0 111.56 -175.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 mt -70.41 127.33 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 120.685 -1.259 . . . . 0.0 109.119 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.7 t -141.36 127.27 19.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -102.84 94.97 5.87 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -141.26 -37.1 0.43 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 28.12 1.17 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.258 0.936 . . . . 0.0 111.703 -176.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.06 14.73 9.77 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.827 1.651 . . . . 0.0 112.78 -169.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 158.62 41.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 129.646 3.178 . . . . 0.0 107.131 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.51 88.38 5.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.462 1.905 . . . . 0.0 107.412 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.57 154.29 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -150.23 104.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -81.58 98.92 8.56 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 t -60.98 139.45 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -125.24 135.9 53.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.97 167.72 12.8 Favored Glycine 0 C--O 1.224 -0.476 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -173.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -121.28 128.89 52.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.8 mt -95.23 117.05 38.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 122.958 1.361 . . . . 0.0 108.878 -157.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -136.14 178.61 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.58 0.11 0.36 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.085 1.354 . . . . 0.0 113.758 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.52 -13.61 34.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.105 1.762 . . . . 0.0 113.035 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -138.2 -36.84 0.58 Allowed 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 117.798 -1.096 . . . . 0.0 111.948 -163.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -49.46 -48.35 47.73 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.39 1.076 . . . . 0.0 108.816 173.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.03 -45.16 1.19 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 129.343 3.057 . . . . 0.0 113.348 169.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.98 -46.09 6.03 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 109.538 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -42.9 -39.65 2.63 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.624 1.17 . . . . 0.0 110.177 165.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.1 ttpt -60.16 -59.17 5.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 123.918 0.761 . . . . 0.0 111.786 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 11.0 pt-20 -66.83 -26.86 67.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.869 0.759 . . . . 0.0 110.863 -172.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.94 -41.57 22.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.348 1.059 . . . . 0.0 109.032 -175.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.0 -41.56 87.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 110.807 165.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -61.04 -44.27 97.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.873 0.76 . . . . 0.0 109.941 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.24 -54.2 49.6 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.12 0.568 . . . . 0.0 110.978 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -51.57 -46.93 63.63 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.955 1.702 . . . . 0.0 111.684 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mt -69.41 -25.64 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.778 -1.201 . . . . 0.0 110.524 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -40.43 69.24 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.326 1.421 . . . . 0.0 110.228 173.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -87.21 -48.87 7.69 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.609 0.764 . . . . 0.0 111.149 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.83 125.91 25.49 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.722 0.773 . . . . 0.0 110.625 -158.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -75.25 -25.08 57.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.244 1.417 . . . . 0.0 111.59 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -82.32 120.36 25.31 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.68 1.22 5.57 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 103.46 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.399 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.84 130.92 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 126.587 1.955 . . . . 0.0 106.275 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -128.48 99.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 106.26 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 tp -89.66 88.3 7.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.892 -170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.22 101.1 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.53 11.02 4.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 120.112 -1.618 . . . . 0.0 111.147 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -53.38 -15.83 1.17 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -155.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.9 m -98.26 -36.03 10.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 119.989 -1.694 . . . . 0.0 111.877 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -55.7 110.61 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.761 1.624 . . . . 0.0 109.642 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -97.24 -48.42 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.565 -0.709 . . . . 0.0 110.068 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -87.53 146.81 25.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.281 0.363 . . . . 0.0 110.609 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.4 ttm -148.61 117.89 6.87 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.882 1.273 . . . . 0.0 109.036 170.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 162.637 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.42 0.629 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.11 -69.56 0.86 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 127.348 2.404 . . . . 0.0 110.319 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.99 -40.32 76.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.457 -1.025 . . . . 0.0 112.381 -171.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 -16.36 52.52 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.509 -1.162 . . . . 0.0 113.304 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.9 m -76.01 -46.47 29.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.026 -2.212 . . . . 0.0 105.026 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -38.56 73.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.971 0.805 . . . . 0.0 109.102 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 t -65.38 -33.71 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.366 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.64 -54.44 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.133 1.373 . . . . 0.0 109.759 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -41.74 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 129.289 3.036 . . . . 0.0 109.364 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' CD2' ' HE2' ' A' ' 73' ' ' LYS . 1.5 tm? -64.16 -54.99 25.12 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 120.4 -1.437 . . . . 0.0 111.776 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -51.7 -41.78 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.238 -0.289 . . . . 0.0 110.288 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.09 -43.05 86.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.431 1.492 . . . . 0.0 111.89 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.58 -54.64 30.21 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.99 1.716 . . . . 0.0 111.12 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HE2' ' CD2' ' A' ' 69' ' ' LEU . 45.9 mmtt -64.68 -42.24 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.449 -177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -53.54 -46.57 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.608 1.163 . . . . 0.0 110.162 173.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -78.66 -8.65 58.89 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.37 63.23 4.45 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 125.813 1.673 . . . . 0.0 111.107 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -149.62 174.33 12.68 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.81 1.244 . . . . 0.0 110.021 171.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -96.79 170.74 8.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.318 1.047 . . . . 0.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.67 116.9 5.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.327 1.451 . . . . 0.0 108.39 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.9 mt -133.14 154.05 38.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.28 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.49 154.04 30.04 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.414 0.685 . . . . 0.0 110.151 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.83 164.79 29.29 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 125.241 1.416 . . . . 0.0 112.502 -171.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m 74.28 30.4 1.18 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.551 1.941 . . . . 0.0 114.855 163.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.594 HD22 ' H ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -53.53 105.6 0.14 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 128.116 2.566 . . . . 0.0 113.338 -171.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -70.28 158.96 34.94 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.855 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -46.84 -45.61 20.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.198 1.399 . . . . 0.0 111.091 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -68.24 -71.15 0.22 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.501 1.521 . . . . 0.0 110.342 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.1 mm -48.52 -54.73 4.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 C-N-CA 125.053 1.341 . . . . 0.0 108.824 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.467 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 8.7 t -39.07 -60.42 0.88 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.736 1.614 . . . . 0.0 108.922 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -54.8 -54.85 36.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.738 -1.125 . . . . 0.0 111.145 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.428 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 58.6 mt -52.31 -33.33 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.599 1.96 . . . . 0.0 109.884 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.09 -49.72 54.67 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 119.713 -1.867 . . . . 0.0 110.61 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -60.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.428 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 11.3 mt -52.84 -54.67 31.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.695 1.598 . . . . 0.0 109.917 -178.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.19 14.6 23.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.657 0.783 . . . . 0.0 110.943 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.0 m170 52.49 28.94 6.43 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.044 1.738 . . . . 0.0 113.288 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.9 mt -68.31 -21.32 64.77 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 120.661 -1.275 . . . . 0.0 110.984 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.04 -11.27 12.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.365 1.466 . . . . 0.0 114.429 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 12.52 10.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.077 1.751 . . . . 0.0 111.758 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.8 mt -106.07 -46.98 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.594 1.958 . . . . 0.0 106.838 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -108.23 15.26 24.27 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 126.991 2.116 . . . . 0.0 112.039 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 5.8 tttp 51.42 -168.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.277 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -163.16 159.6 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.319 -0.863 . . . . 0.0 109.072 157.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.433 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 25.2 p -140.73 126.03 18.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.239 0.472 . . . . 0.0 109.768 -170.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -62.1 -37.11 83.85 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 120.903 -1.123 . . . . 0.0 110.55 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.3 p -141.25 169.58 17.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.083 1.353 . . . . 0.0 108.591 -172.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.04 -24.0 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.5 -8.23 59.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -8.17 52.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.947 0.794 . . . . 0.0 111.21 167.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 123.963 0.905 . . . . 0.0 113.266 -171.336 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.235 0.327 0 CA-C-O 118.461 -0.78 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -142.56 159.05 43.0 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.502 1.921 . . . . 0.0 110.961 -170.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 mt -139.85 129.6 24.57 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.689 1.596 . . . . 0.0 108.245 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.72 84.54 2.29 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.124 0.97 . . . . 0.0 109.592 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.45 143.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 125.215 1.406 . . . . 0.0 108.512 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.41 139.16 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -129.62 47.31 2.51 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.839 0.856 . . . . 0.0 110.144 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -67.25 173.77 3.67 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.731 1.212 . . . . 0.0 111.139 168.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 40.22 -94.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.839 2.856 . . . . 0.0 112.124 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.38 41.94 0.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.372 1.869 . . . . 0.0 109.316 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -151.78 144.15 24.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 119.353 -2.092 . . . . 0.0 109.803 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.43 9.93 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.175 1.79 . . . . 0.0 109.339 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -112.34 118.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -169.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -124.38 111.89 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 C-N-CA 123.463 0.705 . . . . 0.0 110.372 -167.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.04 102.77 7.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 125.076 1.35 . . . . 0.0 108.341 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.31 143.46 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 170.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -130.85 130.56 43.76 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 127.276 2.23 . . . . 0.0 107.883 173.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.63 -177.11 16.72 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.413 1.483 . . . . 0.0 109.523 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -129.19 109.42 11.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 126.358 1.863 . . . . 0.0 106.699 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.94 134.98 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -173.02 -175.61 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -162.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.25 63.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.281 1.433 . . . . 0.0 112.847 172.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -8.32 59.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -134.61 -49.67 0.77 Allowed 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 115.616 -2.135 . . . . 0.0 111.403 -160.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -47.6 -51.49 21.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.611 2.005 . . . . 0.0 109.628 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -48.14 -30.85 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.962 2.905 . . . . 0.0 114.952 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -60.49 1.52 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.573 1.549 . . . . 0.0 109.746 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.272 16.9 tp -29.31 -42.7 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 129.838 3.255 . . . . 0.0 112.294 169.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmpt? -59.88 -47.6 85.11 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -33.3 75.48 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.782 0.833 . . . . 0.0 109.066 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -82.29 -45.1 15.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -167.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -40.77 98.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.952 0.901 . . . . 0.0 112.354 171.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.64 -50.12 71.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.8 -43.29 99.18 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 122.114 -0.366 . . . . 0.0 110.859 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -53.08 -50.35 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.537 1.135 . . . . 0.0 109.907 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.8 mt -60.1 -31.78 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.4 -0.809 . . . . 0.0 112.73 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.1 t -72.24 -28.18 62.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.309 0.959 . . . . 0.0 109.776 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.44 0.22 4.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -153.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -92.41 126.93 37.71 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.8 -5.3 50.33 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.001 -1.062 . . . . 0.0 112.488 172.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 128.87 34.13 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.79 -21.64 66.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.337 168.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 108.23 19.19 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.627 1.103 . . . . 0.0 108.857 -168.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.94 134.91 39.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 126.648 1.979 . . . . 0.0 106.237 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.18 97.83 4.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 127.476 2.311 . . . . 0.0 105.107 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 tp -79.75 102.93 9.32 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.409 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.65 100.08 12.54 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.633 1.173 . . . . 0.0 109.063 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.04 8.94 9.39 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.887 -1.054 . . . . 0.0 113.424 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -58.73 -3.66 0.34 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -162.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -101.77 -34.64 9.36 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.191 -1.568 . . . . 0.0 111.568 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.12 129.37 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -127.22 -30.99 2.6 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 117.613 -1.184 . . . . 0.0 112.147 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -77.1 -95.8 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 111.355 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.405 23.1 ttp 78.56 102.07 0.07 Allowed 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 127.125 2.17 . . . . 0.0 116.769 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.234 0.281 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.357 175.256 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.34 -20.32 67.15 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 118.669 -1.073 . . . . 0.0 113.424 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.16 -57.4 12.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.407 1.104 . . . . 0.0 109.232 173.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.84 -29.85 65.3 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-O 118.007 -1.44 . . . . 0.0 112.987 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.1 m -51.65 -54.25 29.97 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.538 1.669 . . . . 0.0 109.583 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.27 -33.72 76.48 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 119.598 1.09 . . . . 0.0 110.594 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -66.74 -37.15 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 122.148 -0.345 . . . . 0.0 110.152 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.02 -51.84 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.186 -0.946 . . . . 0.0 109.018 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.74 -40.6 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.06 -55.26 36.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 121.261 -0.899 . . . . 0.0 110.761 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -50.32 -38.0 39.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.065 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.04 -44.32 80.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.216 1.407 . . . . 0.0 111.049 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.82 47.23 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.171 1.388 . . . . 0.0 110.129 171.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -71.0 -38.22 72.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.309 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.24 -28.55 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.296 1.038 . . . . 0.0 111.854 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -99.1 -7.08 27.23 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.281 1.032 . . . . 0.0 112.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.85 62.52 6.14 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 126.816 2.151 . . . . 0.0 112.221 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -146.11 179.25 7.62 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.062 0.945 . . . . 0.0 112.358 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.3 164.8 13.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.064 1.412 . . . . 0.0 108.832 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -151.59 107.88 3.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.421 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.6 mt -123.55 150.57 27.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.78 167.77 11.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.533 0.733 . . . . 0.0 109.736 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t -162.12 162.4 28.53 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.295 1.038 . . . . 0.0 109.281 -159.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.53 57.77 6.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.855 2.462 . . . . 0.0 114.049 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.478 ' H ' HD13 ' A' ' 84' ' ' LEU . 3.3 mp -75.9 99.17 4.42 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 130.743 3.617 . . . . 0.0 112.557 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.21 154.94 25.94 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.743 170.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.43 -37.79 82.01 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.659 1.118 . . . . 0.0 112.572 -165.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -77.25 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.614 1.166 . . . . 0.0 110.518 166.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.1 mm -40.38 -52.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.163 0 C-N-CA 127.633 2.373 . . . . 0.0 110.114 -176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 t -44.42 -63.33 0.91 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.95 1.7 . . . . 0.0 110.142 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -37.5 70.23 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 118.885 0.766 . . . . 0.0 111.308 -172.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.1 mt -62.27 -38.08 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.414 1.485 . . . . 0.0 108.421 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.0 mt -67.97 -35.02 77.66 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 109.382 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -16.13 57.04 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 169.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.87 -69.15 0.23 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 122.231 2.287 . . . . 0.0 108.203 175.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -74.63 9.11 1.94 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.261 1.424 . . . . 0.0 111.121 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.4 m80 46.03 38.64 4.88 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.604 1.562 . . . . 0.0 111.544 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -73.81 -21.09 60.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.462 1.105 . . . . 0.0 109.51 175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.78 -6.26 1.68 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.82 1.648 . . . . 0.0 114.989 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.57 -0.87 8.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.435 1.494 . . . . 0.0 112.157 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -96.99 -45.64 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.791 1.637 . . . . 0.0 108.407 173.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.51 21.02 16.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.884 2.074 . . . . 0.0 110.904 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.495 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 1.4 ttpt 46.64 -157.69 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.606 1.162 . . . . 0.0 109.429 -166.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.495 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -175.6 157.41 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 C-N-CA 127.181 2.192 . . . . 0.0 107.867 160.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.5 p -139.49 132.55 29.57 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.95 -37.79 88.49 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 118.559 -1.256 . . . . 0.0 110.123 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -141.9 173.09 11.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.503 1.521 . . . . 0.0 109.724 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.0 p -63.25 -15.67 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.656 0.782 . . . . 0.0 111.812 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -22.36 59.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.411 1.084 . . . . 0.0 110.926 174.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -0.08 54.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.469 0.708 . . . . 0.0 112.768 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.376 0 CA-C-N 119.551 1.069 . . . . 0.0 112.076 -167.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 121.638 0.732 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -137.36 157.15 47.22 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 127.018 2.127 . . . . 0.0 108.658 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.48 149.33 39.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 125.889 1.676 . . . . 0.0 107.117 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.94 88.17 2.26 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 124.818 1.324 . . . . 0.0 107.909 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.08 138.58 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.618 1.567 . . . . 0.0 108.597 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.0 t -130.68 128.18 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 124.308 1.043 . . . . 0.0 108.265 169.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' CD ' ' HG1' ' A' ' 42' ' ' THR . 43.9 mt-10 -135.75 87.59 2.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 162.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -138.88 96.44 3.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 166.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 144.38 -106.49 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 1 C-N-CA 131.795 4.038 . . . . 0.0 104.666 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -155.48 25.45 0.4 Allowed 'General case' 0 C--O 1.223 -0.295 0 O-C-N 119.996 -1.69 . . . . 0.0 110.246 -165.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -150.92 158.58 44.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.563 1.545 . . . . 0.0 107.902 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.96 89.3 3.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 125.973 1.709 . . . . 0.0 109.138 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -80.74 148.98 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 22.8 t -139.57 105.3 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.573 1.079 . . . . 0.0 111.307 168.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -73.44 79.3 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 127.607 2.363 . . . . 0.0 109.056 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 t -71.66 132.35 33.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -141.34 78.34 1.64 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.51 1.924 . . . . 0.0 106.155 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.95 131.67 1.81 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.39 153.55 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -131.05 92.82 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.369 0.986 . . . . 0.0 109.398 -164.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -120.66 -170.05 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.905 2.082 . . . . 0.0 108.267 167.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.46 2.34 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.529 1.532 . . . . 0.0 114.92 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.98 -18.42 59.31 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.998 1.272 . . . . 0.0 112.545 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -139.7 -37.46 0.49 Allowed 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.238 -1.363 . . . . 0.0 111.588 -152.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -48.66 -44.96 38.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 121.125 1.784 . . . . 0.0 109.065 168.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -49.02 63.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 127.814 2.446 . . . . 0.0 110.273 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.47 -59.58 2.72 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 126.119 1.768 . . . . 0.0 109.953 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -30.88 -46.45 0.08 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 128.497 2.719 . . . . 0.0 109.642 170.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -59.93 -53.56 56.43 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 118.688 -0.673 . . . . 0.0 112.447 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.54 -43.53 72.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.527 0.731 . . . . 0.0 110.277 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -73.6 -42.37 61.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -167.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 -39.99 87.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.465 1.506 . . . . 0.0 112.355 174.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -52.33 66.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.31 99.09 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.689 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.4 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 2.9 t80 -52.49 -58.18 7.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.179 1.392 . . . . 0.0 109.836 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -33.51 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 121.203 -0.936 . . . . 0.0 110.917 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -44.88 90.72 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.214 0.915 . . . . 0.0 110.364 174.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -77.75 -52.06 9.54 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.804 -0.56 . . . . 0.0 110.316 -172.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.412 ' HG1' ' CD ' ' A' ' 10' ' ' GLU . 14.8 t -48.91 129.24 17.03 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.757 2.023 . . . . 0.0 114.084 -157.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 m -71.88 -12.4 61.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.328 1.051 . . . . 0.0 113.585 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -102.61 138.54 39.38 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.756 1.623 . . . . 0.0 107.043 -165.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -63.23 -25.38 68.3 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.619 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 110.22 20.7 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.868 1.267 . . . . 0.0 108.319 -166.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.3 137.01 33.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -136.46 94.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 C-N-CA 125.386 1.474 . . . . 0.0 108.179 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.38 93.22 9.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.001 -166.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.74 75.14 2.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.139 2.175 . . . . 0.0 110.292 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.99 64.85 6.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t -101.55 -12.46 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.582 -174.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.3 m -122.24 -7.32 8.79 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -176.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.5 p -57.47 157.57 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 120.354 -1.467 . . . . 0.0 110.118 149.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -141.32 -41.09 0.38 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.922 1.289 . . . . 0.0 110.302 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -77.52 135.7 38.24 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.8 ttm -145.59 129.11 17.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 167.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--N 1.325 -0.48 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -178.363 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.24 -41.17 78.3 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.36 1.457 . . . . 0.0 112.666 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.98 -44.23 73.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 118.178 0.989 . . . . 0.0 111.135 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.6 92.19 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.069 -1.406 . . . . 0.0 111.274 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -51.87 -52.67 47.96 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 119.593 1.696 . . . . 0.0 109.52 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.25 -34.31 72.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.052 1.751 . . . . 0.0 111.677 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -70.39 -30.62 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 120.981 -1.074 . . . . 0.0 112.116 174.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.67 -53.68 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.241 -1.537 . . . . 0.0 108.041 165.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.28 -38.97 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.883 0.873 . . . . 0.0 109.791 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.92 -50.5 73.52 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.829 -0.544 . . . . 0.0 111.447 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -53.81 -41.94 67.86 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.92 -41.27 97.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.213 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.01 -50.35 71.14 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 124.26 1.024 . . . . 0.0 111.106 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -36.09 69.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 117.379 -1.296 . . . . 0.0 111.5 -177.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.52 -57.55 7.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 120.128 1.331 . . . . 0.0 108.61 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -69.26 -10.48 58.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.646 0.778 . . . . 0.0 112.213 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.71 66.58 2.6 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 127.213 2.34 . . . . 0.0 111.953 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -146.59 179.32 7.64 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.98 1.39 . . . . 0.0 112.315 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.79 89.56 3.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.745 2.018 . . . . 0.0 108.385 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.25 113.85 17.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.572 1.549 . . . . 0.0 108.478 176.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 mt -128.16 146.42 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.62 -178.38 4.38 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.77 167.12 19.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.125 -0.984 . . . . 0.0 111.2 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.0 m 66.45 48.43 1.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.897 1.679 . . . . 0.0 112.994 160.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.438 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -62.54 112.63 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.307 1.843 . . . . 0.0 111.527 -172.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -66.54 155.68 37.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.051 163.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.8 -34.79 73.5 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.387 0.994 . . . . 0.0 112.094 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.132 1.773 . . . . 0.0 108.619 167.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.5 mm -46.13 -55.48 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 128.216 2.607 . . . . 0.0 108.254 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.516 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 4.7 t -34.58 -67.38 0.14 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.595 1.958 . . . . 0.0 109.588 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -49.85 -44.14 49.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.235 1.014 . . . . 0.0 112.491 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.432 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 15.6 mt -64.71 -37.51 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.906 2.082 . . . . 0.0 108.986 -174.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.72 -36.94 85.9 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.8 -1.187 . . . . 0.0 109.19 173.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HE3' ' O ' ' A' ' 89' ' ' SER . 12.8 mmtp -66.4 -34.28 77.6 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 22.1 mt -55.27 -63.61 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.767 1.627 . . . . 0.0 110.655 -173.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.26 17.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.412 1.885 . . . . 0.0 112.148 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 p80 45.9 29.92 0.8 Allowed 'General case' 0 C--N 1.343 0.301 0 C-N-CA 127.501 2.32 . . . . 0.0 113.224 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.28 -25.01 64.94 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 109.419 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -61.47 -16.22 45.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.915 2.086 . . . . 0.0 114.477 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -105.86 -3.52 21.8 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 168.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.6 mt -92.66 -67.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -79.51 4.58 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.414 1.086 . . . . 0.0 112.488 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.16 -169.5 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.492 0.717 . . . . 0.0 109.231 -161.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -160.86 154.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 164.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 p -130.45 140.76 50.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 170.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -23.84 58.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.267 170.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 p -140.72 170.93 14.85 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 124.275 0.984 . . . . 0.0 113.332 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.45 -31.03 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.543 0.737 . . . . 0.0 111.1 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.88 -26.78 67.05 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.2 1.0 . . . . 0.0 110.348 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -89.69 6.89 39.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.096 1.358 . . . . 0.0 112.55 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.9 1.28 . . . . 0.0 111.345 -174.472 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.696 0.76 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -145.33 161.09 40.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.045 1.738 . . . . 0.0 109.699 169.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 mt -137.63 145.08 42.29 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 127.133 2.173 . . . . 0.0 106.528 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.41 33.48 5.58 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -174.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -46.64 127.13 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.412 2.285 . . . . 0.0 113.042 -164.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t -136.87 153.68 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 127.592 2.357 . . . . 0.0 108.928 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -127.29 28.87 5.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 111.709 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.63 169.24 8.03 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.937 1.295 . . . . 0.0 111.225 173.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 60.05 10.99 2.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.957 2.103 . . . . 0.0 114.772 168.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 15.6 m-20 72.09 11.98 5.99 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.299 2.24 . . . . 0.0 113.682 -174.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HZ2' ' C ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -102.67 175.05 5.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 166.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 153.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.1 mt -129.26 140.87 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.912 -2.625 . . . . 0.0 103.912 -169.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -146.1 100.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.659 0.742 . . . . 0.0 109.468 -176.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -76.3 106.84 8.15 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.918 1.287 . . . . 0.0 107.86 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 t -86.18 140.17 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -128.42 109.48 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.685 1.194 . . . . 0.0 108.5 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.08 -177.83 32.09 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.522 1.534 . . . . 0.0 109.6 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.19 131.93 50.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.175 1.39 . . . . 0.0 108.908 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.53 101.74 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 122.999 1.381 . . . . 0.0 108.378 -163.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -131.11 176.34 8.35 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 126.925 2.09 . . . . 0.0 105.824 170.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.14 -16.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.03 -15.99 56.04 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.008 1.276 . . . . 0.0 112.143 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -137.96 -34.22 0.67 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.508 -168.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 p -55.0 -23.41 19.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 121.518 1.963 . . . . 0.0 110.427 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -54.18 -76.0 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.734 2.813 . . . . 0.0 110.998 163.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -81.07 -44.35 18.13 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.953 1.301 . . . . 0.0 113.555 -170.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -41.55 -38.11 1.26 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 125.208 1.403 . . . . 0.0 111.669 167.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.94 -52.27 45.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.185 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.24 -30.88 71.94 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.585 0.754 . . . . 0.0 111.31 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.94 -41.74 20.41 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -38.32 86.37 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.586 -0.696 . . . . 0.0 112.095 168.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -68.03 -19.69 64.92 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.48 -0.762 . . . . 0.0 111.657 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.45 -47.94 13.59 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 119.497 1.044 . . . . 0.0 110.619 166.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.48 -57.06 5.06 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.271 1.829 . . . . 0.0 109.197 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -24.58 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.887 0.875 . . . . 0.0 113.165 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -76.04 -56.26 4.83 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.272 0.942 . . . . 0.0 109.743 169.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -77.21 -15.5 59.46 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.458 1.123 . . . . 0.0 113.19 -164.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 t -56.14 -25.98 48.35 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.334 2.254 . . . . 0.0 116.681 -169.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 -54.7 0.39 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 121.628 2.013 . . . . 0.0 114.348 -171.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -78.46 140.84 38.6 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 127.182 2.193 . . . . 0.0 105.114 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -83.73 -15.0 50.26 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.678 -0.639 . . . . 0.0 109.879 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 120.02 34.63 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.59 133.13 62.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.84 123.15 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HA ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -115.53 85.75 2.34 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.636 0.731 . . . . 0.0 110.754 -161.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.97 83.98 5.79 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.22 -165.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.03 28.33 0.61 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.029 1.331 . . . . 0.0 110.997 -174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 19.3 p -68.09 -9.82 49.23 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -33.5 17.04 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.216 -0.928 . . . . 0.0 109.984 172.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 t -66.33 119.8 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.96 1.704 . . . . 0.0 109.014 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -113.97 -10.2 12.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.039 1.336 . . . . 0.0 112.996 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -138.24 141.47 39.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.273 1.829 . . . . 0.0 107.035 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 ttm -151.47 103.05 2.94 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.877 1.271 . . . . 0.0 109.279 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.5 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.002 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.91 93.34 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 123.88 0.752 . . . . 0.0 112.483 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.14 -44.06 85.24 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 119.156 -0.449 . . . . 0.0 110.635 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.07 91.59 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 118.735 -1.036 . . . . 0.0 112.16 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -55.47 -52.42 63.7 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.305 1.552 . . . . 0.0 110.158 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.31 -31.41 67.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.965 1.711 . . . . 0.0 111.598 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.38 -40.94 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 121.316 -0.865 . . . . 0.0 110.98 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.64 -51.02 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.282 0.946 . . . . 0.0 108.559 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.11 -43.1 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.762 0.425 . . . . 0.0 109.859 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.12 -52.1 66.63 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.399 0.545 . . . . 0.0 110.386 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -51.03 -42.27 60.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.65 76.21 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.052 0.541 . . . . 0.0 112.179 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.78 72.51 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 124.838 1.255 . . . . 0.0 110.425 169.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -69.09 -35.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.843 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.72 -47.01 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 119.273 0.942 . . . . 0.0 109.752 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 19.7 m-80 -82.58 2.83 31.25 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 113.178 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.28 49.42 78.74 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 126.869 2.176 . . . . 0.0 111.718 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 75' ' ' ASN . 1.4 ptpm? -139.08 -179.58 5.93 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.311 1.045 . . . . 0.0 110.37 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.92 165.48 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.746 1.218 . . . . 0.0 108.661 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -149.7 108.79 3.91 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 2.7 mt -114.9 150.2 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 172.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -84.35 -144.31 0.08 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 117.493 -1.241 . . . . 0.0 107.835 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.72 160.56 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.855 2.862 . . . . 0.0 110.486 155.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 52' ' ' SER . 72.5 m 65.17 64.41 0.62 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.898 1.679 . . . . 0.0 111.465 175.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.11 103.78 11.14 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.806 2.042 . . . . 0.0 110.556 -176.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -64.5 163.18 13.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.934 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -25.59 58.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.319 1.848 . . . . 0.0 113.156 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -77.73 -71.25 0.43 Allowed 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.94 -51.52 16.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 126.727 2.011 . . . . 0.0 108.683 -164.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -48.31 -63.06 1.18 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.557 1.071 . . . . 0.0 110.012 -175.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -42.11 57.77 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 123.519 0.727 . . . . 0.0 111.839 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.84 -48.4 86.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.08 -32.18 63.9 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 119.361 -2.087 . . . . 0.0 110.805 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -76.81 -32.58 57.71 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -18.18 61.81 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.547 1.939 . . . . 0.0 112.902 -174.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.85 3.36 12.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.908 2.883 . . . . 0.0 111.519 177.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 m170 57.54 24.61 10.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.284 1.833 . . . . 0.0 113.026 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.31 -23.46 67.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.843 -1.161 . . . . 0.0 110.575 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -14.11 16.13 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 175.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -109.22 -1.5 18.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.322 0.964 . . . . 0.0 112.241 172.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.58 -39.1 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.373 1.469 . . . . 0.0 107.518 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -110.61 10.8 22.93 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.038 1.735 . . . . 0.0 111.46 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.504 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.0 tttp 50.7 -166.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 109.653 -162.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.504 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -159.91 165.54 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.185 154.072 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 p -149.22 147.57 28.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.47 -26.35 55.28 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.929 173.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.6 p -145.89 162.25 38.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.07 -28.98 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 122.584 0.354 . . . . 0.0 110.82 169.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.95 -12.82 60.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.118 1.367 . . . . 0.0 113.156 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.36 -1.87 53.06 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.161 1.346 . . . . 0.0 112.311 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.413 ' C ' ' HZ2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.173 1.389 . . . . 0.0 110.002 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 171.88 16.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.976 0.807 . . . . 0.0 112.524 -177.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.2 mt -136.24 145.87 46.1 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.086 2.154 . . . . 0.0 108.465 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 79.02 1.87 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 mt -82.91 123.66 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 123.634 0.773 . . . . 0.0 109.255 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -130.07 145.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 125.963 1.705 . . . . 0.0 107.725 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.98 19.87 10.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.147 1.379 . . . . 0.0 112.774 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 25.29 -66.88 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 1 C-N-CA 132.88 4.472 . . . . 0.0 116.985 164.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -153.02 -62.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 157.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.4 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -103.85 -21.53 13.64 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -170.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -107.82 171.67 7.27 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.058 2.143 . . . . 0.0 108.314 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.98 50.25 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 108.165 155.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mt -142.56 121.5 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 -167.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.04 105.76 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 118.348 0.522 . . . . 0.0 109.692 -169.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.92 98.59 4.95 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.03 0.932 . . . . 0.0 108.699 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -62.79 139.44 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.46 131.75 50.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.68 1.992 . . . . 0.0 106.9 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -139.77 11.34 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -141.5 179.58 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.622 2.769 . . . . 0.0 106.086 171.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.4 mt -131.9 94.07 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -149.74 -168.39 3.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 120.856 -1.152 . . . . 0.0 108.676 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.66 -5.07 4.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.733 1.151 . . . . 0.0 113.694 -176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.95 -7.82 58.41 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.224 0.92 . . . . 0.0 112.502 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -150.19 -52.84 0.15 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.149 -153.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -39.45 -47.4 1.82 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.898 2.079 . . . . 0.0 109.874 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -42.63 79.06 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.934 2.094 . . . . 0.0 113.272 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -94.94 -53.7 3.74 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 127.101 2.16 . . . . 0.0 108.567 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp -41.02 -35.93 0.6 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.933 1.693 . . . . 0.0 111.929 163.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.95 -53.13 43.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 119.056 0.843 . . . . 0.0 111.666 173.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.56 -20.15 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.693 1.197 . . . . 0.0 111.736 -175.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.35 -46.85 5.37 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.231 1.412 . . . . 0.0 107.276 -170.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.57 -25.22 66.53 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.64 -59.34 4.99 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 167.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -41.17 92.83 Favored 'General case' 0 CA--C 1.521 -0.173 0 O-C-N 123.274 0.359 . . . . 0.0 111.241 -174.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -52.49 -47.27 66.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.732 1.213 . . . . 0.0 111.908 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.14 -36.83 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.372 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -46.47 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.894 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.9 p -69.94 -43.28 71.92 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 119.387 0.994 . . . . 0.0 110.356 -170.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 t -64.27 141.06 58.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.047 0.939 . . . . 0.0 111.391 -169.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -103.27 -0.8 29.82 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.366 -0.834 . . . . 0.0 112.94 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 14.4 mmmt -79.39 142.17 36.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 172.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -91.03 -10.93 40.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.016 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 123.75 48.08 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 127.012 2.125 . . . . 0.0 106.046 177.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -128.65 106.34 14.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 -167.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -104.13 108.57 24.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.2 tp -86.97 121.21 29.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -106.9 106.92 17.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -170.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.21 12.08 32.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.212 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 p -52.4 -26.06 11.55 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -168.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -48.58 11.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.075 1.35 . . . . 0.0 110.402 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.7 124.01 13.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 126.956 2.102 . . . . 0.0 109.206 -172.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -102.93 -24.81 13.64 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.868 0.867 . . . . 0.0 112.659 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -134.47 145.4 48.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.85 1.66 . . . . 0.0 109.833 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.75 115.37 12.83 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.853 1.261 . . . . 0.0 108.534 174.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.76 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.5 -37.76 62.21 Favored Glycine 0 N--CA 1.448 -0.523 0 O-C-N 121.361 -0.837 . . . . 0.0 112.628 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.1 -53.92 52.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.53 -21.91 69.22 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-O 118.249 -1.306 . . . . 0.0 113.367 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.44 -44.17 75.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 119.849 1.824 . . . . 0.0 110.395 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.49 -33.87 71.88 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.66 2.482 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.56 -22.34 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 122.988 0.515 . . . . 0.0 110.856 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.44 -46.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 120.264 -1.522 . . . . 0.0 110.586 170.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.22 -36.31 73.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.55 -52.92 63.6 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.516 -0.74 . . . . 0.0 112.291 166.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -51.5 -41.53 61.03 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.645 0.657 . . . . 0.0 109.88 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -39.56 81.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.943 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.78 -44.49 73.75 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.546 1.138 . . . . 0.0 110.674 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.89 -39.75 83.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.823 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.8 -30.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 123.71 0.804 . . . . 0.0 112.422 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.432 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 33.4 m-80 -95.9 -6.82 38.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.889 0.875 . . . . 0.0 112.162 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.38 64.16 3.8 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 126.766 2.126 . . . . 0.0 111.447 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 7.9 ptpt -146.57 169.5 18.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.663 0.785 . . . . 0.0 111.452 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -80.48 170.66 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.694 1.198 . . . . 0.0 108.657 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -157.07 111.62 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.97 155.71 33.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 125.654 1.582 . . . . 0.0 108.731 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.0 169.49 12.07 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.651 0.781 . . . . 0.0 109.447 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 t -164.8 162.95 21.31 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -159.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m 49.95 65.11 1.52 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 123.46 1.6 . . . . 0.0 112.853 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.83 95.85 4.16 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.759 1.624 . . . . 0.0 112.085 -170.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.38 83.29 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.315 1.446 . . . . 0.0 109.61 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 27.02 -77.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.995 3.718 . . . . 0.0 115.528 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.49 -69.09 0.14 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.037 1.335 . . . . 0.0 110.082 166.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.409 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.7 mp -49.06 -52.42 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -43.57 -65.54 0.48 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.483 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 29.8 ptt85 -61.74 -40.76 96.26 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 120.987 -1.071 . . . . 0.0 112.435 -166.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 88' ' ' ILE . 25.1 mt -52.19 -39.54 27.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 126.971 2.108 . . . . 0.0 109.915 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -69.37 -39.62 77.94 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 120.498 -1.376 . . . . 0.0 109.558 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -75.76 -14.85 60.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.93 -71.2 0.16 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 120.587 1.539 . . . . 0.0 108.163 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.39 11.24 4.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.916 0.886 . . . . 0.0 111.061 -176.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m80 61.45 25.54 15.46 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.801 1.64 . . . . 0.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.6 -21.56 62.8 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.754 -1.216 . . . . 0.0 112.435 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.07 -7.0 2.22 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 119.58 1.082 . . . . 0.0 111.856 168.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -107.59 -0.06 22.26 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 117.756 -3.09 . . . . 0.0 113.229 166.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -105.48 -33.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 126.365 1.866 . . . . 0.0 109.027 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -122.58 7.49 9.49 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 127.359 2.264 . . . . 0.0 112.684 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.553 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.2 ttpp 48.33 -159.44 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -163.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.553 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -174.76 156.8 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 126.908 2.083 . . . . 0.0 107.49 165.633 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -137.5 142.14 41.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -41.06 81.0 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 117.579 -1.648 . . . . 0.0 108.552 166.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.9 p -139.62 163.6 32.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.618 0.767 . . . . 0.0 111.715 -172.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.2 p -54.89 -28.92 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.548 1.939 . . . . 0.0 111.714 173.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.99 -9.56 58.55 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.222 1.409 . . . . 0.0 112.052 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.81 3.75 37.07 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.781 1.232 . . . . 0.0 112.94 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.746 0.819 . . . . 0.0 110.656 -179.515 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--O 1.237 0.443 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.67 164.62 27.8 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 126.562 1.945 . . . . 0.0 110.338 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -150.52 95.61 2.26 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.303 1.841 . . . . 0.0 108.026 -164.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.44 73.44 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.56 -165.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 mt -78.4 124.44 36.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.023 1.329 . . . . 0.0 108.981 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.9 t -134.43 147.9 29.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 127.307 2.243 . . . . 0.0 106.678 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -129.36 -91.61 0.46 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.3 0.64 . . . . 0.0 110.531 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 25.79 66.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.619 3.168 . . . . 0.0 113.232 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 179.21 -106.75 0.0 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 103.733 -2.692 . . . . 0.0 103.733 157.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -150.42 48.13 0.89 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.55 1.54 . . . . 0.0 110.7 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HZ1' ' C ' ' A' ' 110' ' ' ALA . 4.7 ttmt -154.78 127.96 8.34 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 126.784 2.034 . . . . 0.0 108.067 166.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.07 125.67 35.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.2 mt -125.54 134.16 67.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 -174.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.09 109.31 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -79.84 96.33 6.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 t -66.33 124.09 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -138.56 112.84 8.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.041 1.336 . . . . 0.0 107.982 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.62 148.58 10.53 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.47 169.24 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.825 1.25 . . . . 0.0 110.759 -163.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.4 mt -127.67 13.83 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.89 -0.506 . . . . 0.0 110.537 -160.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.25 -167.7 1.11 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.937 -2.352 . . . . 0.0 110.178 -169.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -6.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 119.879 -1.763 . . . . 0.0 114.373 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -86.99 -12.12 48.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 120.412 1.46 . . . . 0.0 112.112 170.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -142.26 -36.38 0.41 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.419 -167.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -48.72 -41.42 31.91 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 122.934 2.606 . . . . 0.0 109.898 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.87 -41.54 3.33 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.715 2.406 . . . . 0.0 113.597 170.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -108.41 -43.85 4.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 120.068 1.304 . . . . 0.0 112.814 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.19 -39.94 2.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 109.608 168.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -61.63 -54.22 45.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.8 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -65.15 -31.13 72.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.762 0.71 . . . . 0.0 111.564 -174.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -81.3 -39.58 24.97 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.94 -31.25 69.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 112.781 171.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -52.62 64.51 Favored 'General case' 0 CA--C 1.518 -0.264 0 O-C-N 121.088 -1.008 . . . . 0.0 108.752 171.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.68 -37.6 84.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.371 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -52.69 -52.27 56.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.987 0.515 . . . . 0.0 109.923 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.76 -33.74 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.348 0.659 . . . . 0.0 111.709 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -77.2 -19.97 55.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 113.864 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.27 17.19 17.73 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.914 1.285 . . . . 0.0 109.973 -171.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -123.94 104.03 8.68 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.764 -1.21 . . . . 0.0 110.082 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -73.14 14.37 0.31 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.56 -1.337 . . . . 0.0 113.581 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -102.26 134.71 45.11 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 119.893 -1.755 . . . . 0.0 107.572 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.41 -6.91 16.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.268 171.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.61 118.1 17.82 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.099 1.76 . . . . 0.0 107.976 -165.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.76 131.76 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.81 98.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 128.0 2.52 . . . . 0.0 105.866 -172.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 tp -88.25 100.84 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.34 -173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.21 117.6 31.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.782 0.833 . . . . 0.0 111.341 -165.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.9 21.04 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.97 -0.456 . . . . 0.0 111.585 -168.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -49.83 -37.76 32.0 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.462 0.705 . . . . 0.0 111.073 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -76.25 -45.37 33.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.79 -178.75 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.153 0.502 . . . . 0.0 110.183 -168.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -155.58 -34.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.616 -1.303 . . . . 0.0 111.276 165.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.13 126.21 31.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -170.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.4 ttm -147.99 152.85 38.17 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 165.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 129.929 3.291 . . . . 0.0 107.327 -173.619 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 121.289 0.566 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.77 -37.52 39.21 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 125.357 1.456 . . . . 0.0 113.066 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.4 -52.35 58.64 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 117.845 0.823 . . . . 0.0 110.601 -170.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.85 -21.21 60.75 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-O 117.911 -1.494 . . . . 0.0 111.915 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -65.88 -49.19 68.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 119.132 1.466 . . . . 0.0 110.082 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.02 -35.53 73.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 121.483 1.947 . . . . 0.0 111.283 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -63.57 -35.17 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.525 0.73 . . . . 0.0 110.559 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.69 -48.98 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 120.505 -1.372 . . . . 0.0 109.662 173.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.1 -36.06 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.41 -53.5 56.78 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.56 0.618 . . . . 0.0 110.578 170.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -51.69 -44.62 63.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 110.306 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.64 71.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.681 0.792 . . . . 0.0 110.725 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.72 -47.08 83.42 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.732 0.813 . . . . 0.0 110.607 171.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -77.06 -22.73 52.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.252 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 164.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -72.89 -4.5 32.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.816 0.846 . . . . 0.0 112.917 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.07 53.29 5.79 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 126.419 1.961 . . . . 0.0 113.267 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.73 173.49 11.43 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.963 -1.316 . . . . 0.0 112.242 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.12 169.1 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.566 1.547 . . . . 0.0 109.477 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -161.87 106.08 1.23 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -170.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 mt -135.54 152.71 31.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 124.7 1.2 . . . . 0.0 109.375 -169.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.47 167.13 10.55 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.664 0.745 . . . . 0.0 109.489 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 m -156.15 148.96 24.02 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.058 1.343 . . . . 0.0 109.947 -166.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.7 m 54.67 62.95 2.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.518 2.327 . . . . 0.0 114.252 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -73.85 99.14 3.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.094 2.958 . . . . 0.0 111.229 178.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -55.4 152.06 9.21 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.728 165.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -47.61 -53.79 13.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.752 1.615 . . . . 0.0 111.476 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -71.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.403 1.881 . . . . 0.0 110.553 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -48.84 -52.03 10.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 C-N-CA 125.609 1.564 . . . . 0.0 108.885 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.438 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 11.6 t -46.4 -56.92 5.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.4 1.48 . . . . 0.0 108.789 -171.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -41.38 85.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 120.275 1.398 . . . . 0.0 111.061 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.51 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 65.7 mt -67.47 -7.04 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 O-C-N 125.383 1.677 . . . . 0.0 107.286 -171.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.67 -45.47 8.04 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 118.423 -2.673 . . . . 0.0 110.242 164.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -67.5 -24.3 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.819 -1.176 . . . . 0.0 112.273 -175.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -60.98 -15.54 32.77 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 129.132 2.973 . . . . 0.0 114.982 -173.503 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 21.29 2.53 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.843 1.257 . . . . 0.0 111.39 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m170 52.63 31.03 9.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.002 0.921 . . . . 0.0 112.814 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.18 -32.13 72.72 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.72 -6.72 8.52 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.813 2.045 . . . . 0.0 115.204 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -119.15 -2.19 10.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.533 1.06 . . . . 0.0 112.528 167.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.9 mt -84.44 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 165.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -76.15 5.28 7.04 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.937 2.095 . . . . 0.0 112.55 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.99 -171.46 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.529 0.68 . . . . 0.0 110.258 -161.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -160.88 152.61 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 O-C-N 121.257 -0.902 . . . . 0.0 108.756 160.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -131.04 155.21 47.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.11 -48.18 58.71 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.344 -1.472 . . . . 0.0 108.826 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 p -143.24 164.41 30.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.36 1.064 . . . . 0.0 109.353 -166.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.23 -20.89 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.162 -171.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -13.87 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.504 0.593 . . . . 0.0 110.859 170.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.06 0.31 34.76 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.508 -0.745 . . . . 0.0 111.313 172.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.538 ' C ' ' HZ1' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 124.896 1.278 . . . . 0.0 109.615 170.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.233 0.23 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.37 156.23 48.02 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.595 1.958 . . . . 0.0 108.172 170.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.4 mt -137.65 135.2 36.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -132.11 84.55 2.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.34 0.591 . . . . 0.0 110.614 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -76.04 143.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.721 1.609 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -145.38 137.05 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 128.197 2.599 . . . . 0.0 107.957 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -142.51 57.85 1.44 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.597 1.09 . . . . 0.0 113.07 -167.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -86.56 -75.88 0.37 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.657 1.117 . . . . 0.0 111.396 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' LYS . 3.9 p-10 -74.2 46.83 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.108 2.963 . . . . 0.0 112.626 -168.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 59.11 -12.88 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 129.338 3.055 . . . . 0.0 115.41 -178.207 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' ASP . 14.7 ttmt -79.57 135.4 36.59 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 131.072 3.749 . . . . 0.0 106.127 166.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.97 33.79 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 151.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.53 128.96 70.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -137.4 119.73 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 119.441 1.019 . . . . 0.0 110.326 -174.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -75.56 105.5 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.898 0.879 . . . . 0.0 109.432 176.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.1 122.13 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -129.4 119.83 24.5 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.187 2.595 . . . . 0.0 106.05 -169.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.11 -153.33 24.78 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -146.24 16.34 1.34 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt 25.75 61.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 131.687 3.995 . . . . 0.0 113.741 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.85 -176.65 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 120.539 -1.351 . . . . 0.0 109.794 172.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -12.1 0.16 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.563 1.545 . . . . 0.0 114.238 158.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.9 0.29 57.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.532 1.933 . . . . 0.0 112.265 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -153.16 -40.36 0.1 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.774 -167.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -20.16 64.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.035 1.743 . . . . 0.0 112.746 -171.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -27.48 66.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.638 1.975 . . . . 0.0 110.956 169.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.74 -48.51 4.27 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 129.528 3.131 . . . . 0.0 109.995 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -36.69 -46.35 0.59 Allowed 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.07 2.148 . . . . 0.0 109.506 169.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.18 -50.23 74.5 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.592 0.558 . . . . 0.0 111.573 -175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.23 -35.89 81.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.039 0.536 . . . . 0.0 110.358 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.93 -38.27 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -168.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -43.24 87.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.314 1.045 . . . . 0.0 111.034 167.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -51.04 65.17 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.21 -49.54 63.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.834 1.653 . . . . 0.0 110.214 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.34 -55.07 39.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.145 1.378 . . . . 0.0 110.316 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -31.22 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.216 1.406 . . . . 0.0 110.89 176.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -64.21 -57.89 8.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.204 1.001 . . . . 0.0 109.854 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -93.6 -12.35 29.67 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -158.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -58.25 -33.16 69.08 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.9 -12.42 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -156.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 20.5 mmmt -79.32 135.42 36.73 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 121.569 1.986 . . . . 0.0 107.532 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.3 8.22 19.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.495 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 105.81 4.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -171.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.58 123.68 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 N-CA-C 103.243 -2.873 . . . . 0.0 103.243 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.11 110.01 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 tp -103.66 96.71 6.9 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.19 -1.368 . . . . 0.0 107.669 -169.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -79.83 99.46 7.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.638 1.975 . . . . 0.0 107.012 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 17.8 3.02 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 119.872 -1.767 . . . . 0.0 111.711 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -50.13 -36.96 31.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.409 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -89.79 -29.47 18.64 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -169.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.38 -177.54 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 119.289 0.95 . . . . 0.0 108.788 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -147.42 -30.97 0.32 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.311 -2.118 . . . . 0.0 113.726 163.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -119.8 167.99 11.54 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.381 1.072 . . . . 0.0 108.343 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.2 ttm -169.25 125.67 0.91 Allowed 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.647 1.979 . . . . 0.0 107.788 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 123.985 0.914 . . . . 0.0 110.722 171.529 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.73 -27.48 64.11 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.352 -1.249 . . . . 0.0 115.433 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.33 -59.9 2.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.108 1.954 . . . . 0.0 109.339 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.72 -19.94 75.39 Favored Glycine 0 N--CA 1.437 -1.253 0 O-C-N 123.785 0.678 . . . . 0.0 112.161 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.1 m -52.06 -53.6 40.19 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.598 1.199 . . . . 0.0 109.298 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.21 -30.51 69.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.514 1.506 . . . . 0.0 111.252 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.72 -40.22 85.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 121.535 -0.728 . . . . 0.0 110.721 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.24 -50.26 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 120.759 -1.213 . . . . 0.0 109.854 170.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.15 -43.8 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -174.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.86 -54.79 43.18 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.881 0.764 . . . . 0.0 110.479 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -52.39 -38.35 58.7 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.845 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -43.89 91.3 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.193 0.997 . . . . 0.0 112.896 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.1 -52.19 27.3 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.261 1.424 . . . . 0.0 109.02 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -67.99 -41.73 81.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.192 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.0 -43.52 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.602 1.561 . . . . 0.0 111.085 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -84.19 -6.92 59.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.125 0.97 . . . . 0.0 112.283 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.15 49.51 6.29 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 118.335 -1.258 . . . . 0.0 113.995 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.04 167.13 23.41 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.976 1.888 . . . . 0.0 113.399 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.17 170.92 15.82 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.4 1.08 . . . . 0.0 109.933 169.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -151.42 136.1 17.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.598 1.559 . . . . 0.0 107.895 174.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.1 mt -156.06 145.96 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 128.121 2.569 . . . . 0.0 104.368 -169.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.36 172.03 8.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.105 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -161.97 154.8 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.548 1.539 . . . . 0.0 110.758 -158.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m 65.37 49.63 1.86 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.117 1.767 . . . . 0.0 113.725 167.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -71.89 110.0 6.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.705 2.402 . . . . 0.0 111.253 -174.02 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -70.22 156.54 39.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.073 -1.422 . . . . 0.0 110.566 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.21 -31.93 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 120.151 1.342 . . . . 0.0 114.112 -170.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -71.0 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 120.153 1.342 . . . . 0.0 108.303 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.4 mm -45.24 -50.4 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 128.391 2.676 . . . . 0.0 109.887 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.7 t -48.43 -55.25 11.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.026 1.33 . . . . 0.0 108.845 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.38 -40.74 95.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.601 -1.312 . . . . 0.0 110.899 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.426 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 2.7 mt -55.22 -44.66 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.304 1.042 . . . . 0.0 109.626 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.98 -39.5 92.41 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.103 -0.998 . . . . 0.0 109.923 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -26.48 62.35 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 9.0 mt -56.07 -68.52 0.2 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.115 1.766 . . . . 0.0 108.251 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.74 12.72 0.98 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.722 1.609 . . . . 0.0 112.643 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.424 ' HB3' ' HE3' ' A' ' 99' ' ' LYS . 82.8 m-70 46.71 27.53 0.68 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 126.416 1.887 . . . . 0.0 113.218 -170.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.3 -27.15 68.27 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.148 -0.97 . . . . 0.0 109.228 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.73 -16.34 38.92 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.888 1.222 . . . . 0.0 110.051 165.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.7 mt -68.83 -34.13 62.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.312 1.445 . . . . 0.0 110.029 -167.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 126.512 1.925 . . . . 0.0 111.312 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 3.5 tttt 49.6 -167.19 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -156.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.463 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -166.07 160.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 158.438 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.2 p -136.15 154.12 51.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.918 1.236 . . . . 0.0 111.244 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.34 -49.96 56.65 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -134.1 165.67 24.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 122.147 0.975 . . . . 0.0 112.305 -169.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.92 -34.1 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.255 1.422 . . . . 0.0 109.936 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -71.7 -14.62 62.08 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.217 1.007 . . . . 0.0 112.343 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.24 -12.34 52.74 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.783 1.174 . . . . 0.0 112.612 170.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -172.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.99 166.56 22.75 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.926 1.29 . . . . 0.0 110.364 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -142.82 105.33 4.47 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.204 1.401 . . . . 0.0 107.781 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.46 86.26 3.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.3 mt -84.0 138.71 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.82 120.05 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 119.563 1.074 . . . . 0.0 108.71 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.598 ' HB3' ' HZ2' ' A' ' 44' ' ' LYS . 52.9 mt-10 -82.66 87.83 6.72 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 166.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.92 -175.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.607 2.363 . . . . 0.0 109.921 167.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -36.7 -50.58 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.717 2.007 . . . . 0.0 113.523 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -140.0 -2.19 1.52 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.444 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -114.01 156.98 23.1 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.655 2.382 . . . . 0.0 109.22 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.16 110.02 21.99 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 129.043 2.937 . . . . 0.0 108.679 165.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -97.02 147.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.559 1.544 . . . . 0.0 107.613 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.11 101.66 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 119.126 0.876 . . . . 0.0 110.319 174.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.31 99.49 6.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.01 141.18 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.59 106.69 9.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.18 174.31 13.46 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.29 -173.2 2.6 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.729 1.611 . . . . 0.0 108.976 172.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mt -138.07 101.11 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 120.495 -1.378 . . . . 0.0 109.802 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -133.46 -174.22 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 127.423 2.289 . . . . 0.0 107.659 169.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.27 3.36 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.121 -1.612 . . . . 0.0 115.23 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -83.66 -21.44 32.44 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.886 1.221 . . . . 0.0 111.298 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -125.36 -48.58 1.7 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.04 -164.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.3 p -50.73 -40.27 54.01 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.886 1.274 . . . . 0.0 109.93 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.6 m -48.34 -30.8 5.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.819 2.848 . . . . 0.0 113.381 171.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.5 -49.62 2.82 Favored 'General case' 0 C--O 1.226 -0.164 0 C-N-CA 125.993 1.717 . . . . 0.0 109.694 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tt -45.8 -33.87 3.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.833 1.253 . . . . 0.0 111.017 167.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -65.61 -60.56 2.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.626 1.103 . . . . 0.0 113.085 173.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -64.92 -21.86 66.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.372 0.533 . . . . 0.0 111.029 -169.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -86.42 -41.59 14.32 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.199 1.0 . . . . 0.0 108.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -42.27 97.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.303 0.956 . . . . 0.0 112.144 171.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -65.72 -34.4 78.1 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.389 -0.82 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.49 -47.85 68.83 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.71 172.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -45.36 -50.91 11.83 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 126.558 1.943 . . . . 0.0 109.388 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.04 -48.28 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 112.149 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 t -67.93 -36.25 79.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.796 0.838 . . . . 0.0 111.06 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -97.06 2.21 51.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.18 0.992 . . . . 0.0 111.571 -166.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -114.2 124.96 53.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.72 1.208 . . . . 0.0 108.977 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.7 m -92.06 5.98 48.2 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.859 -1.151 . . . . 0.0 113.491 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.598 ' HZ2' ' HB3' ' A' ' 10' ' ' GLU . 6.0 mmmm -78.35 127.36 32.11 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.737 -2.32 . . . . 0.0 104.737 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -68.77 -10.53 57.12 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.662 169.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 117.0 32.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.748 1.158 . . . . 0.0 108.895 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.401 HD11 ' HE3' ' A' ' 77' ' ' LYS . 50.2 mm -115.74 117.6 56.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 128.241 2.616 . . . . 0.0 106.7 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -121.8 101.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.83 120.34 23.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.07 119.9 32.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.22 31.88 4.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.002 0.921 . . . . 0.0 109.54 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 t -64.73 -13.41 54.62 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.327 1.451 . . . . 0.0 111.941 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 t -106.5 -28.0 10.57 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.795 -1.19 . . . . 0.0 111.607 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 t -73.18 122.01 25.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -114.77 -34.31 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.387 0.675 . . . . 0.0 111.968 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -108.98 140.77 42.03 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.205 1.802 . . . . 0.0 108.669 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.2 ttm -149.72 107.64 3.71 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.665 1.186 . . . . 0.0 109.181 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 CA--C 1.534 0.343 0 O-C-N 123.823 0.702 . . . . 0.0 111.275 174.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.46 11.44 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 126.971 2.224 . . . . 0.0 113.926 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.3 -53.03 55.34 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.415 1.086 . . . . 0.0 109.638 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.25 -32.35 60.22 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-O 119.007 -0.885 . . . . 0.0 112.075 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.7 m -52.24 -53.94 37.4 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 118.936 1.368 . . . . 0.0 110.61 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.13 -30.21 70.87 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 110.51 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.21 -36.53 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.391 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -54.28 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.107 1.363 . . . . 0.0 107.924 171.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mm -59.35 -38.17 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -173.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.22 -55.48 33.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.517 -0.739 . . . . 0.0 110.497 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -54.07 -38.68 65.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.139 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -31.83 68.71 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.462 0.574 . . . . 0.0 111.468 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.44 69.1 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.272 1.029 . . . . 0.0 110.554 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.174 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.04 -57.05 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 119.438 1.017 . . . . 0.0 109.016 167.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.73 0.28 21.07 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.3 50.51 66.87 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 126.517 2.008 . . . . 0.0 111.648 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HE3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.78 167.18 16.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.151 0.98 . . . . 0.0 110.133 175.584 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.67 169.54 17.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.768 170.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.58 118.08 5.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.392 1.477 . . . . 0.0 107.462 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 56.2 mt -132.74 158.03 43.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 124.418 1.074 . . . . 0.0 109.426 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.32 171.83 8.04 Favored 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 123.335 0.654 . . . . 0.0 110.255 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.51 161.77 30.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.891 1.276 . . . . 0.0 109.475 -170.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 m 58.84 51.26 7.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.428 1.891 . . . . 0.0 112.881 174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -73.72 114.66 12.24 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 131.017 3.727 . . . . 0.0 110.494 -176.155 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -74.51 159.9 31.63 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.779 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -56.19 -31.02 63.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.196 0.998 . . . . 0.0 111.857 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -74.37 0.13 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.078 0.951 . . . . 0.0 110.403 165.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mm -52.34 -55.07 11.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 125.239 1.416 . . . . 0.0 108.229 -166.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -40.87 -54.72 2.64 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.988 1.715 . . . . 0.0 109.356 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -61.73 -47.0 87.2 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.854 -1.154 . . . . 0.0 111.866 178.337 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.62 -31.74 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.555 1.542 . . . . 0.0 110.42 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.59 -49.46 53.87 Favored 'General case' 0 C--O 1.232 0.143 0 O-C-N 120.605 -1.309 . . . . 0.0 108.326 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 3.0 mppt? -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mp -49.98 -69.9 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.861 1.665 . . . . 0.0 109.818 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -77.64 16.44 0.66 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.92 0.888 . . . . 0.0 110.27 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.47 35.63 18.16 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 127.358 2.263 . . . . 0.0 111.752 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.3 mt -73.38 -22.45 60.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.234 1.014 . . . . 0.0 110.578 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -69.95 -8.94 53.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 110.82 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -101.21 1.1 38.64 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.944 -1.723 . . . . 0.0 112.87 166.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.9 mt -106.75 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -92.92 12.21 24.62 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.782 1.233 . . . . 0.0 111.697 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.53 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 7.0 tttp 46.93 -153.7 0.06 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.16 0.984 . . . . 0.0 108.929 -169.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.53 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -171.55 163.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 127.553 2.341 . . . . 0.0 109.782 163.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.0 p -140.59 148.72 41.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.62 1.1 . . . . 0.0 109.916 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.6 -22.39 50.93 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.529 -0.732 . . . . 0.0 112.398 170.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.4 p -148.68 167.47 25.43 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.151 0.98 . . . . 0.0 110.606 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.67 -25.42 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 121.621 -0.674 . . . . 0.0 110.091 168.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.1 -8.62 55.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.792 1.237 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.02 -3.66 34.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.074 0.95 . . . . 0.0 112.378 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.575 -1.202 . . . . 0.0 112.945 -157.759 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.237 0.416 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -124.72 162.51 24.06 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 128.633 2.773 . . . . 0.0 109.672 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -149.46 100.2 2.98 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.423 1.489 . . . . 0.0 107.333 -171.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -83.35 72.76 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.85 117.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.4 t -128.97 135.62 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 126.543 1.937 . . . . 0.0 107.806 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' CD ' ' HG1' ' A' ' 42' ' ' THR . 62.8 mt-10 -145.11 96.67 2.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.201 1.0 . . . . 0.0 109.789 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -131.55 -96.44 0.34 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.874 162.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -49.03 78.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 130.199 3.4 . . . . 0.0 113.549 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.256 1.1 m-20 24.68 44.13 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 130.227 3.411 . . . . 0.0 115.771 -164.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -155.56 158.44 38.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.288 -1.507 . . . . 0.0 109.073 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.88 125.71 51.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 162.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -129.86 123.07 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.09 106.92 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -171.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 71.8 mtt180 -78.7 98.47 6.24 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.465 0.65 . . . . 0.0 111.139 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.54 127.28 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.967 1.707 . . . . 0.0 108.382 168.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -139.08 114.87 10.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.801 1.64 . . . . 0.0 107.288 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 143.64 169.66 12.84 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -79.22 158.95 27.52 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 164.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.8 mt -132.55 92.72 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.121 0.969 . . . . 0.0 108.429 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -125.16 -170.12 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 128.019 2.528 . . . . 0.0 108.053 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.89 -7.26 0.29 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 170.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.27 10.58 23.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.569 1.947 . . . . 0.0 111.248 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -152.89 -38.26 0.1 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 117.771 -1.109 . . . . 0.0 111.684 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 p -55.69 -37.79 68.81 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 119.922 1.237 . . . . 0.0 110.424 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.76 -40.16 54.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.115 1.766 . . . . 0.0 110.795 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.7 -51.27 5.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.179 1.392 . . . . 0.0 111.552 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.3 -35.43 7.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.03 1.332 . . . . 0.0 109.526 171.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -62.42 -59.87 4.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.754 0.707 . . . . 0.0 111.228 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.7 -22.12 60.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.15 -166.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.47 -36.65 29.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -73.27 -32.18 64.52 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.217 0.607 . . . . 0.0 111.972 172.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -60.38 -52.28 65.93 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -43.98 80.68 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.727 0.694 . . . . 0.0 111.095 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -52.49 -55.55 21.26 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.507 1.523 . . . . 0.0 111.393 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.03 -24.76 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.218 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -65.74 -40.58 92.29 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.147 0.979 . . . . 0.0 111.001 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -91.4 -95.6 0.13 Allowed 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.491 ' HG1' ' CD ' ' A' ' 10' ' ' GLU 0.282 9.0 t 40.16 -164.61 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.53 2.732 . . . . 0.0 112.711 -174.492 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.46 11.35 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.73 1.612 . . . . 0.0 111.455 168.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -119.88 144.96 47.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.38 1.872 . . . . 0.0 106.934 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.47 -10.5 48.87 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.2 112.49 24.5 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -174.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -107.44 123.72 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -174.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -112.51 96.87 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 tp -79.32 104.04 9.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 3.4 t0 -91.76 113.04 25.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -171.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -109.67 37.36 2.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.304 0.956 . . . . 0.0 110.796 177.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.464 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 1.9 t -64.49 -17.08 63.53 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -119.42 -15.22 9.1 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -170.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 11.9 p -70.77 168.68 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 120.293 1.406 . . . . 0.0 109.754 160.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.7 m -147.63 -34.78 0.24 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.997 2.119 . . . . 0.0 109.942 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -90.65 125.82 35.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.093 1.357 . . . . 0.0 108.74 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.4 ttp -137.95 134.74 35.29 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 162.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 N--CA 1.45 -0.426 0 O-C-N 123.846 0.716 . . . . 0.0 111.88 168.529 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.95 -29.13 74.4 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 125.311 1.434 . . . . 0.0 112.344 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 tp -76.05 -55.53 5.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 117.659 0.729 . . . . 0.0 110.518 -173.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.83 -27.0 55.54 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 118.551 -1.138 . . . . 0.0 111.832 172.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.7 m -57.4 -45.5 84.49 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.492 1.646 . . . . 0.0 110.185 171.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.37 -31.21 70.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 122.17 2.259 . . . . 0.0 111.115 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.82 -28.64 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.206 0.602 . . . . 0.0 110.081 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.46 -51.87 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.111 -1.618 . . . . 0.0 109.253 164.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -58.43 -37.35 63.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.329 1.052 . . . . 0.0 109.231 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.1 -48.81 80.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-O 118.704 -0.665 . . . . 0.0 111.099 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -52.48 -39.35 61.08 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.524 0.602 . . . . 0.0 109.997 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -41.26 74.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.631 0.773 . . . . 0.0 111.473 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -53.04 56.41 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.211 0.914 . . . . 0.0 110.888 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -69.21 -34.14 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 117.362 -1.304 . . . . 0.0 111.336 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -56.02 -53.49 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.727 1.211 . . . . 0.0 110.238 168.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -75.0 -7.31 53.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.3 56.53 6.81 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 128.769 3.08 . . . . 0.0 111.977 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 177.45 7.97 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.909 0.855 . . . . 0.0 112.243 -175.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -79.76 -173.46 3.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.529 1.157 . . . . 0.0 107.897 169.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.98 124.12 0.43 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 129.99 3.316 . . . . 0.0 108.43 167.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 34.2 mt -130.0 164.47 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.609 1.563 . . . . 0.0 108.159 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.18 177.53 4.69 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.764 0.826 . . . . 0.0 110.919 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.53 157.76 32.69 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.882 1.273 . . . . 0.0 112.694 -174.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m 68.25 44.23 1.41 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.267 2.227 . . . . 0.0 114.041 160.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.562 ' CD2' ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -60.89 103.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 126.888 2.075 . . . . 0.0 113.025 -169.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' ' 52' ' ' SER . 6.8 mmtt -72.06 76.97 0.94 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.98 2.512 . . . . 0.0 107.357 169.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 36.73 -77.85 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 129.208 3.003 . . . . 0.0 115.197 157.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -45.33 -61.86 1.5 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.233 1.813 . . . . 0.0 110.898 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 mm -52.42 -57.15 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 C-N-CA 126.693 1.997 . . . . 0.0 107.98 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.404 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 4.0 t -39.27 -55.53 1.68 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 108.777 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -55.41 -49.06 73.35 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.312 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.415 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 32.9 mt -62.28 -34.35 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 126.175 1.79 . . . . 0.0 109.197 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -51.69 64.25 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 169.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -59.67 -6.8 1.27 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 172.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 23.4 mt -78.8 -68.75 0.62 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 121.072 1.76 . . . . 0.0 108.366 176.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.4 m -78.29 17.49 0.63 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.843 1.201 . . . . 0.0 113.012 -173.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 m170 57.35 30.62 18.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.043 -1.66 . . . . 0.0 110.851 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.1 -24.02 66.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.899 0.88 . . . . 0.0 110.969 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -67.83 -6.43 21.45 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.759 2.424 . . . . 0.0 113.341 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -119.51 7.18 11.1 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.213 1.405 . . . . 0.0 111.824 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -106.46 -70.07 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -82.5 18.61 1.44 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.242 1.017 . . . . 0.0 110.502 174.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp 44.2 -157.46 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.979 0.912 . . . . 0.0 109.567 -169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -166.06 160.59 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.154 155.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -140.78 164.63 29.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.842 1.201 . . . . 0.0 108.336 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.81 -35.03 26.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.749 1.613 . . . . 0.0 109.551 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 p -135.8 156.18 49.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.243 0.545 . . . . 0.0 112.082 -172.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.47 -15.63 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.541 0.736 . . . . 0.0 111.572 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 -17.78 64.94 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.023 166.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -95.52 3.07 54.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.096 0.862 . . . . 0.0 112.434 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 CA-C-N 119.09 0.859 . . . . 0.0 111.945 -164.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HB2' HD21 ' A' ' 27' ' ' ASN . 3.0 tm? . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.126 0.489 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.82 158.38 42.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 126.591 1.956 . . . . 0.0 108.309 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -143.16 101.31 3.79 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 108.136 -170.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -98.12 83.76 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.47 0.481 . . . . 0.0 111.291 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.81 141.06 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.342 0.657 . . . . 0.0 109.532 -168.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.21 132.4 15.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 126.591 1.956 . . . . 0.0 108.382 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB3' ' HZ2' ' A' ' 44' ' ' LYS . 85.4 mt-10 -133.73 90.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.627 0.771 . . . . 0.0 110.069 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -133.74 -43.51 0.82 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 110.842 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 60.69 2.31 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.359 1.076 . . . . 0.0 109.435 -171.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.3 OUTLIER 50.22 -16.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 1 C-N-CA 132.21 4.204 . . . . 0.0 117.924 -168.553 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 48.4 mttp -96.36 170.14 9.44 Favored 'General case' 0 CA--C 1.496 -1.111 0 C-N-CA 127.153 2.181 . . . . 0.0 109.785 -178.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.49 132.0 45.11 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.459 -2.155 . . . . 0.0 105.586 153.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -129.3 129.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 102.759 -3.052 . . . . 0.0 102.759 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.82 110.32 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -170.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -73.53 102.93 3.98 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.72 130.51 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 162.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.42 124.83 23.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.35 -162.99 32.72 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-O 121.989 0.771 . . . . 0.0 112.008 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.17 106.93 9.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 102.741 -3.059 . . . . 0.0 102.741 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.91 96.06 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 25' ' ' ALA . 37.1 t70 -122.86 -170.1 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 124.386 1.074 . . . . 0.0 108.226 169.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' H ' ' CG ' ' A' ' 24' ' ' ASP . . . -58.09 -7.9 0.92 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.619 1.568 . . . . 0.0 114.286 174.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -79.2 -4.29 49.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.647 1.179 . . . . 0.0 112.872 168.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.492 HD21 ' HB2' ' A' ' 4' ' ' LEU . 3.2 m120 -146.53 -48.22 0.19 Allowed 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.637 -156.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 p -58.42 -7.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 112.76 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 t -77.34 -44.42 29.54 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.533 1.933 . . . . 0.0 110.452 168.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -111.95 -48.19 3.07 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.628 2.771 . . . . 0.0 111.137 -162.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tp -40.52 -43.4 1.84 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 120.218 1.372 . . . . 0.0 108.969 159.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -64.16 -52.8 57.28 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.594 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.24 -21.25 59.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.559 0.618 . . . . 0.0 111.005 -172.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -84.17 -35.53 23.5 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.59 -48.22 80.39 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.465 166.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -54.37 -47.98 72.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.33 0.968 . . . . 0.0 109.229 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -56.99 -56.73 17.96 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.19 0.596 . . . . 0.0 111.028 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.36 -52.11 23.24 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 126.733 2.013 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.5 -34.16 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -78.63 -16.18 57.65 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -112.77 -18.98 12.17 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.924 1.693 . . . . 0.0 113.452 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -66.34 -16.56 64.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -164.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 t 65.19 -28.92 0.11 Allowed 'General case' 0 CA--C 1.552 1.027 0 O-C-N 119.419 -2.05 . . . . 0.0 114.239 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.442 ' HZ2' ' HB3' ' A' ' 10' ' ' GLU . 6.2 mmmm -79.6 138.14 37.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.53 -1.981 . . . . 0.0 108.134 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -77.72 4.61 11.18 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.769 -1.207 . . . . 0.0 113.011 172.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.92 114.86 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -166.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.71 111.39 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.18 113.62 34.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 169.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 tp -95.17 92.18 6.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.088 0.955 . . . . 0.0 109.719 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.57 119.73 28.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 126.322 1.849 . . . . 0.0 111.206 -168.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.72 19.16 16.19 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.701 -1.249 . . . . 0.0 113.358 -165.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -58.12 -25.37 61.31 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.597 1.159 . . . . 0.0 113.25 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 -42.1 19.65 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 120.369 -1.457 . . . . 0.0 112.596 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.16 127.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -160.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -123.03 -3.07 8.6 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -166.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -136.95 147.41 46.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.1 ttm -162.04 102.44 1.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.611 1.964 . . . . 0.0 109.251 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 CA--C 1.537 0.459 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.985 179.644 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.21 68.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 126.654 2.073 . . . . 0.0 110.776 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.45 -54.21 49.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.943 0.897 . . . . 0.0 109.543 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -29.83 75.47 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.147 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.3 m -55.41 -51.65 66.17 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 118.224 1.012 . . . . 0.0 109.343 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.32 -32.45 71.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.475 1.489 . . . . 0.0 111.149 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.77 -35.05 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 121.983 -0.448 . . . . 0.0 110.15 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.05 -53.11 53.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.353 1.061 . . . . 0.0 108.693 167.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -57.9 -39.53 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -171.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.06 -52.8 63.85 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.8 -0.562 . . . . 0.0 111.402 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.12 -42.2 60.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.58 -40.99 98.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.654 0.781 . . . . 0.0 112.128 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.85 -55.68 27.75 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.556 1.142 . . . . 0.0 110.223 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -65.1 -39.85 93.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.087 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.21 -55.97 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 108.869 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -70.76 -10.43 59.48 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.9 55.74 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.958 1.742 . . . . 0.0 113.177 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.81 174.72 5.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.996 1.898 . . . . 0.0 111.331 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -104.21 144.98 30.87 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.477 1.111 . . . . 0.0 108.589 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -132.83 111.04 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.487 2.315 . . . . 0.0 107.248 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.9 mt -123.01 160.26 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 126.84 2.056 . . . . 0.0 109.126 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.29 164.53 16.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.84 158.81 44.22 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.05 0.94 . . . . 0.0 110.255 -171.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.6 m 60.62 47.91 7.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.242 1.817 . . . . 0.0 113.16 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.521 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -59.17 108.53 0.7 Allowed 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 130.301 3.44 . . . . 0.0 108.646 173.326 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -67.29 149.41 50.41 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 161.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.35 -48.26 62.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.629 0.649 . . . . 0.0 111.371 -167.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -53.02 -66.57 0.36 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.009 1.724 . . . . 0.0 110.791 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.52 -52.4 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.774 1.63 . . . . 0.0 108.744 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -44.57 -51.11 9.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.567 1.147 . . . . 0.0 108.614 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -50.27 64.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.504 1.922 . . . . 0.0 112.489 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.9 mt -60.35 -36.64 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.123 1.769 . . . . 0.0 110.094 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.83 -40.17 87.91 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.311 -1.493 . . . . 0.0 108.875 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -67.8 -25.09 65.42 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.22 -69.08 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 121.41 1.914 . . . . 0.0 110.655 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -81.47 15.52 2.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 122.834 0.454 . . . . 0.0 110.186 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.4 m80 50.76 39.45 22.05 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.053 1.741 . . . . 0.0 109.991 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.424 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 85.9 mt -74.13 -18.06 60.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.659 -0.651 . . . . 0.0 110.203 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.71 -10.93 6.05 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.1 -0.953 . . . . 0.0 113.492 170.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.13 -12.71 17.87 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.302 1.41 . . . . 0.0 113.485 166.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.85 -20.03 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 125.655 1.582 . . . . 0.0 110.467 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 3.6 m-85 -127.8 8.29 6.28 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.143 1.777 . . . . 0.0 112.354 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 14.1 tttp 49.16 -161.14 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -160.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.54 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -163.68 164.86 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 126.146 1.778 . . . . 0.0 108.303 152.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.8 p -138.9 153.53 48.28 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -51.66 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 p -142.75 177.0 8.62 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.004 0.521 . . . . 0.0 111.668 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.72 -18.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.691 0.797 . . . . 0.0 111.974 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.7 -19.06 47.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.038 0.935 . . . . 0.0 111.948 169.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 8.11 9.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.965 -0.459 . . . . 0.0 111.985 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.464 159.232 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -124.62 163.74 21.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.282 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -142.91 100.87 3.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 126.336 1.855 . . . . 0.0 107.827 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.83 73.7 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.63 -172.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -79.43 122.29 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.662 1.185 . . . . 0.0 108.68 -174.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.2 t -132.99 142.65 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.304 1.842 . . . . 0.0 108.341 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 25.6 mt-10 -133.31 33.1 3.61 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.739 0.815 . . . . 0.0 111.842 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.87 18.34 5.78 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 120.381 1.446 . . . . 0.0 113.519 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -136.97 29.44 2.82 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.2 -0.937 . . . . 0.0 111.481 -168.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.05 8.03 0.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.318 2.247 . . . . 0.0 114.342 -172.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -137.78 158.87 43.47 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 130.388 3.475 . . . . 0.0 105.3 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.75 112.14 23.8 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 127.047 2.139 . . . . 0.0 107.166 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.69 133.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -166.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG12 ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -138.19 110.02 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -169.386 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -75.07 101.48 4.54 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.87 130.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.716 1.607 . . . . 0.0 109.264 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -145.88 60.5 1.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.758 1.223 . . . . 0.0 109.352 -162.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.37 123.77 0.81 Allowed Glycine 0 N--CA 1.471 1.025 0 C-N-CA 120.225 -0.988 . . . . 0.0 115.382 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.25 105.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 131.78 4.032 . . . . 0.0 113.153 -167.379 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mt -80.74 92.03 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 C-N-CA 124.572 1.149 . . . . 0.0 108.938 -162.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -129.77 -172.61 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.689 1.996 . . . . 0.0 106.444 168.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 -1.41 0.35 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.064 -1.647 . . . . 0.0 114.696 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -92.74 -1.06 57.13 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.667 1.587 . . . . 0.0 112.518 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -154.59 -33.11 0.1 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -53.67 -39.93 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.183 1.811 . . . . 0.0 108.552 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 m -63.24 -21.95 66.56 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.212 1.805 . . . . 0.0 114.831 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.4 -43.88 2.91 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.346 1.858 . . . . 0.0 109.029 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -39.18 2.37 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 120.264 -1.522 . . . . 0.0 109.136 163.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -66.23 -48.59 70.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 118.869 0.758 . . . . 0.0 112.82 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.26 -30.8 69.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.454 0.57 . . . . 0.0 110.442 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -83.18 -35.96 25.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.241 1.017 . . . . 0.0 108.556 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -34.06 76.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.358 -0.839 . . . . 0.0 112.746 169.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -64.38 -47.35 79.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.138 1.335 . . . . 0.0 109.376 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -52.66 40.66 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.776 0.831 . . . . 0.0 109.702 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.402 ' CE2' HG12 ' A' ' 17' ' ' VAL . 2.7 t80 -48.99 -58.39 4.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.953 2.101 . . . . 0.0 109.424 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -30.96 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 113.067 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -80.39 -43.48 20.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.239 0.927 . . . . 0.0 110.765 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -83.26 -28.53 29.1 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.736 0.698 . . . . 0.0 109.898 -166.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -65.37 138.68 58.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -98.75 -12.19 21.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 111.448 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HZ3' ' HB3' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -80.39 147.73 30.9 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.337 -1.477 . . . . 0.0 107.839 178.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -91.85 12.59 21.04 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.65 104.61 8.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.936 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.89 136.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -131.24 100.46 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 127.272 2.229 . . . . 0.0 105.987 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 tp -79.93 109.91 14.8 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -89.1 123.15 33.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.31 35.32 4.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.735 1.152 . . . . 0.0 111.572 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 t -60.74 -34.29 74.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.247 -0.908 . . . . 0.0 110.601 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m -98.21 -13.51 20.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG23 ' H ' ' A' ' 55' ' ' SER . 8.8 p -74.96 -170.96 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.383 0.992 . . . . 0.0 109.658 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.462 ' H ' HG23 ' A' ' 54' ' ' VAL . 38.9 m -159.28 -41.81 0.06 Allowed 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.846 -1.159 . . . . 0.0 111.505 162.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -91.12 138.7 31.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.515 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 ttm -150.99 104.37 3.14 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 108.098 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 . . . . . 0 CA--C 1.536 0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 171.461 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.86 82.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 124.865 1.221 . . . . 0.0 113.507 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.72 -53.12 36.74 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 124.301 1.04 . . . . 0.0 109.217 -175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.74 73.45 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-O 117.452 -1.749 . . . . 0.0 112.109 173.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.6 m -56.17 -48.57 76.07 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.126 1.963 . . . . 0.0 109.757 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.2 -39.26 85.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.714 1.597 . . . . 0.0 111.254 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 t -64.11 -34.82 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.802 0.441 . . . . 0.0 110.113 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.79 -54.65 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.129 -0.982 . . . . 0.0 108.736 170.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.73 -42.5 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 119.453 1.024 . . . . 0.0 109.607 -172.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.8 -43.13 65.68 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.247 1.019 . . . . 0.0 111.518 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -55.65 -30.52 61.14 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 124.282 1.033 . . . . 0.0 111.069 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.32 -36.51 16.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.82 -54.99 7.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.298 1.408 . . . . 0.0 111.552 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -67.05 -37.91 84.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.75 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.08 -60.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 124.797 1.239 . . . . 0.0 108.452 168.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -71.39 0.29 8.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.896 0.878 . . . . 0.0 112.966 -173.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 26.66 32.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 127.254 2.359 . . . . 0.0 112.848 165.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -130.14 157.36 42.64 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.909 1.338 . . . . 0.0 113.22 -161.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -88.75 151.15 22.59 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.982 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -145.79 93.36 2.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.884 -159.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.0 mt -125.24 155.17 34.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 124.226 1.011 . . . . 0.0 110.345 -169.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.36 170.21 9.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 119.271 0.941 . . . . 0.0 109.374 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 161.91 27.49 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.862 0.865 . . . . 0.0 110.77 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.6 m 56.9 53.37 8.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.422 1.889 . . . . 0.0 113.341 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.507 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.46 117.03 10.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 130.272 3.429 . . . . 0.0 110.113 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -78.7 166.27 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.031 170.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -48.37 -56.67 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.136 1.335 . . . . 0.0 111.023 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 t -56.47 -65.52 0.59 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.55 0.74 . . . . 0.0 110.079 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.68 -55.73 14.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -171.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -43.86 -53.94 5.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.696 1.198 . . . . 0.0 108.906 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.97 -48.14 82.91 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.432 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 77.6 mt -56.63 -38.93 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.527 1.931 . . . . 0.0 110.27 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.38 -41.36 96.73 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 120.334 -1.479 . . . . 0.0 108.946 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.34 -30.48 71.2 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 171.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 15.5 mt -53.78 -60.56 3.15 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 120.098 1.317 . . . . 0.0 111.691 -174.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -90.48 22.55 3.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.89 0.768 . . . . 0.0 110.385 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.77 35.0 2.82 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 126.37 1.868 . . . . 0.0 113.607 -175.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.72 -23.95 67.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.47 1.108 . . . . 0.0 110.345 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -58.26 -18.61 27.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.253 2.221 . . . . 0.0 115.31 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -101.67 -21.92 14.56 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.148 1.34 . . . . 0.0 111.593 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -75.66 -44.84 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.4 m-85 -115.04 14.85 17.2 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 126.656 1.983 . . . . 0.0 111.925 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.438 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 4.1 tttt 50.97 -162.03 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.285 0.634 . . . . 0.0 110.042 -171.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -165.16 161.17 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.951 1.7 . . . . 0.0 108.922 155.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.2 p -139.55 131.39 27.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -30.74 71.75 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.417 -1.313 . . . . 0.0 111.633 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.0 p -142.07 174.92 10.16 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 110.448 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -60.01 -31.95 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.64 0.776 . . . . 0.0 110.338 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.57 -22.42 65.39 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.419 0.554 . . . . 0.0 111.417 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -88.18 6.23 37.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.888 0.767 . . . . 0.0 111.806 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.87 -1.538 . . . . 0.0 113.789 -174.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.518 ' ND2' ' HZ1' ' A' ' 5' ' ' LYS . 8.2 t30 53.07 51.25 16.13 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 122.813 1.292 . . . . 0.0 109.132 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.94 -53.68 5.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 113.488 -1.687 . . . . 0.0 108.264 -168.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.81 130.5 44.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.518 ' HZ1' ' ND2' ' A' ' 2' ' ' ASN . 2.3 tptt -134.58 170.47 15.74 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.189 1.396 . . . . 0.0 110.625 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -141.71 130.63 23.08 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.222 1.809 . . . . 0.0 107.318 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -113.41 66.43 0.66 Allowed 'General case' 0 CA--C 1.538 0.491 0 O-C-N 124.045 0.841 . . . . 0.0 110.73 -173.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -70.95 140.61 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 120.521 -1.362 . . . . 0.0 109.237 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.0 t -145.75 143.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 126.896 2.078 . . . . 0.0 106.862 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' CD ' ' HG1' ' A' ' 42' ' ' THR . 49.1 mt-10 -131.45 -6.88 3.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.11 1.364 . . . . 0.0 113.293 177.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.16 1.46 11.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -157.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -126.94 24.13 6.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.698 2.399 . . . . 0.0 110.225 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.442 ' HA ' ' CE ' ' A' ' 44' ' ' LYS 0.374 7.0 m-20 78.17 18.93 1.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.444 2.297 . . . . 0.0 115.327 173.195 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HE2' ' HB1' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -141.69 126.2 17.78 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 125.044 1.338 . . . . 0.0 107.884 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.16 80.87 5.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.472 1.109 . . . . 0.0 108.691 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.45 132.74 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG11 ' HA ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -136.92 104.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -77.21 104.25 7.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.8 136.31 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -122.54 95.58 4.69 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 125.674 1.59 . . . . 0.0 107.299 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.5 164.05 11.87 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.1 173.45 7.83 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.633 1.173 . . . . 0.0 109.08 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.9 mt -135.9 96.22 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.402 -0.811 . . . . 0.0 109.553 -166.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -119.19 -166.83 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.797 1.639 . . . . 0.0 107.823 160.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 -9.84 4.5 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -84.62 -16.31 42.46 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 120.837 1.653 . . . . 0.0 111.315 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -133.07 -40.26 0.93 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.386 -166.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 p -53.43 -36.23 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.005 1.275 . . . . 0.0 109.759 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -33.74 19.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.755 2.022 . . . . 0.0 111.714 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.48 -52.69 2.77 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.694 1.598 . . . . 0.0 108.812 -164.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.82 -37.36 1.77 Allowed 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 125.223 1.409 . . . . 0.0 110.831 165.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.53 -57.59 8.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.042 1.292 . . . . 0.0 112.618 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.17 -21.16 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.32 -0.238 . . . . 0.0 111.314 -167.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -86.39 -37.23 18.59 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.935 1.294 . . . . 0.0 108.085 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 mt -68.18 -37.06 80.55 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.106 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -64.1 -32.47 74.05 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 120.935 -1.103 . . . . 0.0 111.65 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -54.05 44.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.902 0.774 . . . . 0.0 109.807 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -49.24 -47.97 46.05 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 127.211 2.204 . . . . 0.0 111.176 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.07 -35.41 47.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.623 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -80.46 -44.09 19.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.59 1.156 . . . . 0.0 110.381 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -69.1 -36.69 77.82 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.169 0.895 . . . . 0.0 110.427 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.403 ' HG1' ' CD ' ' A' ' 10' ' ' GLU . 1.1 t -74.77 127.06 32.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.938 -0.476 . . . . 0.0 109.945 -169.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -88.98 -13.3 39.23 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 111.704 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.442 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 13.0 mmmt -79.37 132.0 36.28 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -18.57 64.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.563 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 104.17 14.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 119.146 0.885 . . . . 0.0 108.987 -171.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.37 133.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 127.561 2.345 . . . . 0.0 107.459 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -130.39 96.26 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HA ' HG11 ' A' ' 17' ' ' VAL . 12.6 tp -81.53 90.76 6.27 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.292 -175.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -79.17 106.17 11.02 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.84 21.85 1.81 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.931 -1.106 . . . . 0.0 113.578 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -59.44 -5.87 0.91 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 -10.64 9.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.055 1.742 . . . . 0.0 112.194 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.23 149.03 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.61 -46.56 0.32 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.754 0.822 . . . . 0.0 109.694 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -96.31 137.73 34.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.0 ttp -146.18 112.0 5.64 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.274 1.429 . . . . 0.0 109.634 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.87 178.42 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.383 1.473 . . . . 0.0 111.23 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.37 70.35 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.823 -1.173 . . . . 0.0 112.008 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.35 -38.6 45.19 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 123.556 0.598 . . . . 0.0 111.697 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.71 -55.57 31.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.43 -33.29 65.82 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-O 119.092 -0.838 . . . . 0.0 111.402 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -57.71 -49.01 77.97 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.619 1.209 . . . . 0.0 110.445 175.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.75 -35.92 75.57 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 121.229 1.831 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.42 -36.39 77.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.756 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.0 t -58.35 -53.94 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 124.192 0.997 . . . . 0.0 109.336 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.75 -40.82 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.507 1.123 . . . . 0.0 109.45 -172.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.48 -53.71 54.29 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.524 0.678 . . . . 0.0 110.501 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.05 -34.89 70.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.396 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -33.81 71.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.245 0.475 . . . . 0.0 111.221 173.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.46 79.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.289 1.035 . . . . 0.0 110.94 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.05 -36.63 77.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.999 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.13 -53.69 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.268 0.94 . . . . 0.0 108.817 164.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.38 0.33 14.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.52 40.75 99.08 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 125.493 1.52 . . . . 0.0 111.717 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 171.52 11.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.316 1.058 . . . . 0.0 112.246 -174.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -81.66 164.46 21.8 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -145.17 120.85 10.49 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mt -133.71 151.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.59 166.15 15.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.4 t -147.82 161.31 41.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.286 1.434 . . . . 0.0 110.107 -169.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m 69.95 42.1 1.06 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.995 1.318 . . . . 0.0 114.379 160.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.519 ' H ' HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.88 107.96 2.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 130.451 3.5 . . . . 0.0 113.052 -176.195 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -65.68 162.58 18.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.29 1.436 . . . . 0.0 110.093 169.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.4 -46.7 66.41 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.915 1.689 . . . . 0.0 111.062 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -77.05 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.773 1.629 . . . . 0.0 109.295 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.417 ' HA ' HD11 ' A' ' 91' ' ' ILE . 26.5 mm -46.7 -49.82 6.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 126.944 2.098 . . . . 0.0 109.663 -172.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -52.99 -55.08 26.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.988 1.315 . . . . 0.0 109.185 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -46.02 63.52 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.776 -0.578 . . . . 0.0 109.934 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 88' ' ' ILE . 8.5 mt -77.37 15.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 126.649 1.98 . . . . 0.0 110.598 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 mt -114.28 -40.36 3.68 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 119.58 -1.95 . . . . 0.0 107.179 168.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.21 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.317 -0.864 . . . . 0.0 112.018 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -24.04 63.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.374 2.269 . . . . 0.0 113.876 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.39 25.36 5.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.806 0.842 . . . . 0.0 111.99 171.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 58.81 20.95 8.47 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.093 -1.005 . . . . 0.0 112.196 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.27 -22.78 66.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 120.988 -1.07 . . . . 0.0 109.509 -177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.07 -17.22 62.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.734 1.214 . . . . 0.0 113.166 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -94.88 -13.42 25.49 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.905 1.229 . . . . 0.0 112.96 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.9 mt -90.49 -42.09 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.466 1.106 . . . . 0.0 108.933 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -115.78 19.99 14.85 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 126.131 1.772 . . . . 0.0 110.413 -177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 4.1 ttpp 47.16 -161.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.717 0.689 . . . . 0.0 109.958 -163.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.401 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -163.55 163.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 125.41 1.484 . . . . 0.0 108.245 150.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 60.9 p -136.21 145.2 45.43 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -53.15 24.09 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.5 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -138.27 -179.3 5.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.636 0.774 . . . . 0.0 111.726 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.1 p -61.02 -21.08 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.087 0.555 . . . . 0.0 111.337 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.53 -12.79 61.55 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.158 -0.964 . . . . 0.0 112.217 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -101.17 -10.92 19.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.863 1.211 . . . . 0.0 112.507 168.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.4 ' HB1' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.149 -1.882 . . . . 0.0 114.158 -160.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -164.34 145.27 8.23 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -147.74 -67.5 0.25 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 108.643 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.87 145.83 53.35 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -140.4 171.62 13.89 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.834 2.054 . . . . 0.0 109.762 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -147.68 125.75 12.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.647 1.979 . . . . 0.0 106.949 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.25 88.26 2.77 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 109.894 177.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.76 118.25 25.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 125.426 1.49 . . . . 0.0 108.281 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.76 143.94 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.144 1.777 . . . . 0.0 108.25 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.72 -118.27 0.25 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 54.39 -176.48 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.625 1.97 . . . . 0.0 110.855 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 33.95 -99.24 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.625 1.97 . . . . 0.0 110.358 -153.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.436 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 3.3 p30 -146.16 -1.89 0.72 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 164.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.25 160.06 24.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 122.102 2.228 . . . . 0.0 108.62 173.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.18 123.34 49.36 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 127.352 2.261 . . . . 0.0 106.75 160.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.1 mt -126.36 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG12 ' CE2' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -128.55 112.32 26.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -78.22 97.19 5.44 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 123.612 0.765 . . . . 0.0 109.231 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.18 142.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 166.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.76 106.69 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.82 -177.89 20.17 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -172.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -115.74 176.11 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.818 2.047 . . . . 0.0 107.681 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -137.3 104.83 3.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 O-C-N 120.866 -1.146 . . . . 0.0 109.707 -166.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -137.7 -165.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 127.89 2.476 . . . . 0.0 107.822 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -12.23 52.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 119.841 -1.787 . . . . 0.0 115.339 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.22 -36.08 47.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 120.401 1.455 . . . . 0.0 109.849 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -112.82 -40.64 3.96 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.844 -159.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -55.94 -39.09 71.19 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 119.936 1.244 . . . . 0.0 109.46 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -37.98 -46.09 0.95 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.23 2.612 . . . . 0.0 113.167 163.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.53 -43.53 6.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 121.345 1.884 . . . . 0.0 112.27 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.04 -26.53 27.06 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 120.642 -1.286 . . . . 0.0 111.294 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -66.93 -65.59 0.66 Allowed 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 119.164 0.893 . . . . 0.0 110.656 168.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.58 -20.78 66.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.774 0.715 . . . . 0.0 111.793 -164.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.77 -38.19 18.48 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.727 0.811 . . . . 0.0 109.516 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.25 -43.62 98.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.071 0.85 . . . . 0.0 111.653 168.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -35.61 71.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.392 1.477 . . . . 0.0 109.026 175.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.67 -60.57 2.44 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.154 0.582 . . . . 0.0 110.829 169.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' CE2' HG12 ' A' ' 17' ' ' VAL . 2.1 t80 -47.52 -44.72 25.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 128.3 2.64 . . . . 0.0 112.04 -172.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -72.47 -22.3 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.452 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -72.46 -32.2 66.06 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.023 162.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 -20.62 26.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.808 1.64 . . . . 0.0 113.209 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.0 t -88.19 109.49 19.95 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.643 1.11 . . . . 0.0 113.336 -165.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -68.87 -2.56 9.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.745 1.618 . . . . 0.0 114.771 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 8.2 mmmm -93.45 128.23 39.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -75.97 -6.51 51.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.317 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 119.96 39.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.053 2.141 . . . . 0.0 106.965 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.75 128.21 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.1 t -127.48 97.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 125.853 1.661 . . . . 0.0 106.8 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.83 101.93 8.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.326 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -81.94 118.79 23.24 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.717 0.69 . . . . 0.0 110.882 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.2 mt -105.88 16.09 25.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.252 2.221 . . . . 0.0 112.279 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -58.82 -19.33 40.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.071 1.748 . . . . 0.0 114.053 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -92.48 -41.8 10.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.466 1.507 . . . . 0.0 110.142 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.3 t -64.35 115.42 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.314 1.046 . . . . 0.0 109.802 -162.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -95.86 -14.38 23.24 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.316 1.046 . . . . 0.0 112.307 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -154.12 140.32 18.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.918 0.781 . . . . 0.0 110.772 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.9 ttm -138.61 119.2 13.94 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.842 1.657 . . . . 0.0 109.115 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -84.04 176.36 8.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.277 0.561 . . . . 0.0 111.061 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.19 75.09 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 123.897 0.879 . . . . 0.0 112.026 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.4 93.51 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 125.159 1.361 . . . . 0.0 111.666 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.56 -51.63 69.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.787 0.835 . . . . 0.0 109.407 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.46 72.3 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.701 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.8 m -59.4 -46.91 87.38 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.321 1.061 . . . . 0.0 109.011 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.46 -33.4 69.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.696 1.589 . . . . 0.0 111.931 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.74 -33.92 62.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.162 -0.961 . . . . 0.0 110.542 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.05 -53.58 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 108.621 170.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.5 mm -51.77 -40.87 28.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.461 1.504 . . . . 0.0 109.414 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.28 -54.38 41.49 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.302 -0.874 . . . . 0.0 112.358 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -40.34 19.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.125 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -44.67 91.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.936 0.894 . . . . 0.0 112.003 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.83 60.42 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 125.225 1.41 . . . . 0.0 110.615 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -70.87 -33.78 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.507 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mt -53.67 -61.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.053 0.941 . . . . 0.0 108.658 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -72.37 -6.49 43.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.211 1.004 . . . . 0.0 112.528 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.45 58.73 7.47 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 127.117 2.294 . . . . 0.0 113.432 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.17 171.03 15.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 119.094 1.447 . . . . 0.0 113.184 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -101.78 97.55 7.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.623 1.569 . . . . 0.0 108.707 -169.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -85.65 120.19 26.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.22 0.608 . . . . 0.0 109.8 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 19.4 mt -130.46 160.29 41.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.471 1.909 . . . . 0.0 108.214 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 169.98 9.77 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.571 -0.706 . . . . 0.0 110.325 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.6 t -156.09 162.39 40.27 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.941 0.496 . . . . 0.0 111.86 -167.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 m 60.53 43.9 12.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.043 1.737 . . . . 0.0 114.738 167.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.88 102.21 0.18 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 128.591 2.756 . . . . 0.0 111.78 -174.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -67.12 164.39 18.1 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.128 168.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -29.85 69.87 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -165.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -70.73 -68.91 0.4 Allowed 'General case' 0 C--N 1.341 0.226 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.49 -58.74 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 125.912 1.685 . . . . 0.0 108.434 -169.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 t -31.34 -68.59 0.08 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.542 1.537 . . . . 0.0 111.044 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -40.87 65.11 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.683 1.593 . . . . 0.0 111.578 -176.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.3 mt -67.13 -36.92 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 126.529 1.932 . . . . 0.0 109.278 -174.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.25 -43.86 96.81 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 120.941 -1.1 . . . . 0.0 108.846 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -19.52 64.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.6 -62.05 2.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.378 1.899 . . . . 0.0 109.456 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 7.02 3.56 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.685 1.594 . . . . 0.0 112.542 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.0 m80 49.87 35.13 8.78 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.814 1.645 . . . . 0.0 112.909 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.56 -19.43 60.34 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.705 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.46 -8.56 14.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 127.696 2.398 . . . . 0.0 114.595 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -107.53 -10.01 15.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.653 1.181 . . . . 0.0 112.831 169.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.3 mt -95.1 -59.5 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -90.16 18.68 5.68 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.245 1.018 . . . . 0.0 111.258 175.298 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 8.7 ttpp 47.81 -155.98 0.06 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.323 -0.861 . . . . 0.0 109.849 -169.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.501 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -171.48 156.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 126.394 1.878 . . . . 0.0 109.03 159.293 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.497 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 62.0 p -149.02 104.07 3.4 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.26 -25.49 67.87 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.073 -1.017 . . . . 0.0 111.8 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -133.84 153.73 51.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.984 1.714 . . . . 0.0 109.395 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.35 -27.14 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.585 -0.697 . . . . 0.0 111.28 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.58 -16.55 62.3 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.468 1.107 . . . . 0.0 111.36 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -81.96 -10.46 59.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.427 1.012 . . . . 0.0 112.072 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.161 1.384 . . . . 0.0 111.125 177.129 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtm . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -153.31 108.8 3.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.206 1.002 . . . . 0.0 109.468 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -77.29 159.71 29.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.733 -0.604 . . . . 0.0 109.533 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.34 135.6 38.65 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.032 1.333 . . . . 0.0 110.296 172.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -133.05 162.25 32.22 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.699 0.799 . . . . 0.0 110.789 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 mt -143.56 103.22 4.06 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.127 1.771 . . . . 0.0 107.903 -169.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 84.35 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.9 mt -78.73 126.45 38.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.28 126.1 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 109.827 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -141.98 31.04 1.6 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.926 2.091 . . . . 0.0 112.693 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -72.24 -4.88 32.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.471 1.509 . . . . 0.0 114.537 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 -83.12 0.6 Allowed 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' CA ' ' HE2' ' A' ' 44' ' ' LYS . 2.8 p30 -161.28 -2.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.058 0.943 . . . . 0.0 113.146 -160.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -147.41 125.43 12.07 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 120.046 1.294 . . . . 0.0 108.886 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 10' ' ' GLU . . . -79.89 87.91 5.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.044 1.338 . . . . 0.0 109.326 -177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.08 152.8 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.9 t -133.01 114.45 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 166.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.7 mtp85 -85.27 97.44 9.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.24 132.99 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -121.28 16.9 11.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -157.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.85 167.87 40.8 Favored Glycine 0 C--N 1.316 -0.578 0 O-C-N 121.011 -1.056 . . . . 0.0 111.256 -172.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -74.0 176.55 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 -170.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 90.3 mt -134.45 60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.71 -179.42 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 119.765 -1.834 . . . . 0.0 108.751 166.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.93 -10.83 10.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 120.65 -1.282 . . . . 0.0 113.689 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.52 -20.01 44.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.865 0.866 . . . . 0.0 111.878 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -127.93 -44.02 1.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 124.515 1.126 . . . . 0.0 110.734 -163.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -50.25 -47.37 55.16 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 125.31 1.444 . . . . 0.0 109.436 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.73 -40.79 6.29 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.265 2.226 . . . . 0.0 113.615 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -93.95 -44.78 7.91 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 120.256 1.389 . . . . 0.0 110.97 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.253 0.4 OUTLIER -48.15 -34.78 10.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.585 1.154 . . . . 0.0 109.842 166.41 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -68.12 -59.29 3.35 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.111 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.85 -0.86 6.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 120.047 1.294 . . . . 0.0 113.89 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -109.93 -40.78 4.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.15 1.78 . . . . 0.0 109.381 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.23 -31.64 71.27 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 120.396 -1.44 . . . . 0.0 111.376 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -67.0 -12.35 59.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.027 1.331 . . . . 0.0 111.477 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.56 -55.43 3.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.149 -0.969 . . . . 0.0 110.377 170.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -35.87 -60.05 0.55 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 128.816 2.846 . . . . 0.0 110.9 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.84 -27.2 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -85.31 -4.83 59.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.943 2.097 . . . . 0.0 112.102 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -144.94 43.12 1.33 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.637 1.562 . . . . 0.0 111.71 -169.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t -133.65 -13.58 2.57 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.073 -1.642 . . . . 0.0 114.637 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t 60.35 -22.61 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.167 2.187 . . . . 0.0 115.718 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HE2' ' CA ' ' A' ' 13' ' ' ASP . 4.3 mttp -78.48 128.57 33.76 Favored 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 119.751 -1.843 . . . . 0.0 106.979 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.78 -17.02 64.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.419 168.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 117.53 31.17 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.63 1.104 . . . . 0.0 109.572 -174.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.0 134.54 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 129.173 2.989 . . . . 0.0 107.417 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -136.32 93.88 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.286 2.634 . . . . 0.0 108.226 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tp -79.91 102.05 8.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.17 101.74 12.72 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.133 1.773 . . . . 0.0 109.04 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 18.02 5.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.3 t -60.1 -19.05 51.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.312 1.869 . . . . 0.0 115.424 -169.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -84.78 -40.36 17.31 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.694 1.133 . . . . 0.0 109.163 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 t -66.27 131.82 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 108.124 -166.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -51.02 2.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.112 1.765 . . . . 0.0 109.584 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -99.49 142.49 30.9 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.4 ttm -146.15 115.5 7.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.878 1.671 . . . . 0.0 107.61 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.55 179.21 7.6 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 0.0 112.065 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.35 76.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.8 -53.14 43.22 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.681 1.134 . . . . 0.0 113.676 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.2 tp -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.242 1.021 . . . . 0.0 109.722 -169.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.83 -14.12 78.42 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-O 117.507 -1.719 . . . . 0.0 113.826 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.2 m -66.52 -45.23 80.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 120.135 1.968 . . . . 0.0 108.599 168.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.42 -29.56 69.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.887 1.676 . . . . 0.0 111.205 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -66.95 -39.91 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 124.298 1.039 . . . . 0.0 110.657 173.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.7 t -58.93 -47.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 120.568 -1.333 . . . . 0.0 109.944 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.64 -38.69 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.806 0.842 . . . . 0.0 109.354 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.38 -53.05 62.71 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.263 -0.398 . . . . 0.0 110.033 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -51.75 -41.65 61.73 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -35.84 80.02 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.84 66.01 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.467 0.707 . . . . 0.0 110.17 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -31.2 62.73 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 117.749 -1.119 . . . . 0.0 112.005 -175.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.2 mt -51.81 -57.6 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.098 1.359 . . . . 0.0 108.675 165.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.37 -9.6 58.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.341 0.656 . . . . 0.0 112.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.6 36.04 49.85 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.763 1.649 . . . . 0.0 115.013 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -123.47 -174.72 3.03 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 121.155 2.477 . . . . 0.0 113.51 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.86 163.89 12.61 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.406 1.483 . . . . 0.0 108.502 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -156.08 110.31 2.81 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.897 1.679 . . . . 0.0 108.026 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.4 mt -128.13 149.28 32.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.012 -173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.57 170.6 7.88 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -168.59 157.01 8.36 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -159.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.0 m 51.75 47.99 23.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.632 1.573 . . . . 0.0 113.404 174.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 133.71 46.58 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.964 2.906 . . . . 0.0 110.086 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -87.81 159.19 18.52 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 116.94 -1.505 . . . . 0.0 109.429 162.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.47 -43.42 45.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.372 1.442 . . . . 0.0 111.694 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -68.48 0.36 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.645 1.178 . . . . 0.0 109.103 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.477 ' HA ' HD11 ' A' ' 91' ' ' ILE . 23.3 mm -47.69 -58.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 127.732 2.413 . . . . 0.0 109.336 -176.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -38.87 -60.32 0.86 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.654 1.581 . . . . 0.0 110.97 174.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.432 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 5.1 ttm180 -59.15 -50.65 73.23 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.854 -172.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 88' ' ' ILE . 13.6 mt -51.56 -34.41 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.117 1.767 . . . . 0.0 109.923 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.59 -45.31 65.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.015 -1.053 . . . . 0.0 109.252 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -66.71 -18.11 65.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.135 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.408 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 25.6 mt -61.82 -63.9 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 120.851 1.66 . . . . 0.0 110.761 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -81.11 22.43 0.64 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.641 0.655 . . . . 0.0 111.052 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m170 38.78 42.27 0.6 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 127.017 2.127 . . . . 0.0 113.738 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.29 -24.4 66.55 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.787 0.835 . . . . 0.0 109.649 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.84 -14.03 57.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.469 1.908 . . . . 0.0 114.386 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -111.99 8.85 20.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.566 0.746 . . . . 0.0 111.987 171.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.2 mt -105.72 -67.73 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.65 11.79 3.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.272 2.229 . . . . 0.0 112.74 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp 51.76 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.131 0.973 . . . . 0.0 110.484 -170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -165.95 156.24 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 123.935 0.894 . . . . 0.0 110.036 161.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 82.5 p -137.29 146.39 44.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -46.19 67.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 121.192 -0.943 . . . . 0.0 109.386 168.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 74.4 p -141.03 164.81 29.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.23 1.812 . . . . 0.0 109.354 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -36.46 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 C-N-CA 127.43 2.292 . . . . 0.0 111.8 170.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.72 -27.64 68.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.661 0.6 . . . . 0.0 110.81 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -88.04 -0.63 57.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.975 0.51 . . . . 0.0 111.78 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.376 1.07 . . . . 0.0 111.5 -177.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -144.3 -177.99 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.964 1.305 . . . . 0.0 107.64 166.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m120 52.9 -175.01 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.891 1.276 . . . . 0.0 112.391 -172.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -94.14 139.97 30.33 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 120.951 -1.093 . . . . 0.0 109.264 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.99 173.02 12.02 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.155 1.782 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -142.43 141.44 32.21 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.242 2.217 . . . . 0.0 105.115 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.78 84.8 2.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.4 mt -76.67 131.24 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 126.857 2.063 . . . . 0.0 106.937 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -138.06 133.82 44.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 118.885 0.766 . . . . 0.0 109.535 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 96.8 mt-10 -128.27 100.3 5.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.91 0.884 . . . . 0.0 109.37 -176.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -131.51 -87.21 0.48 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.645 0.657 . . . . 0.0 111.034 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.28 83.48 0.37 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 163.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.87 -5.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.245 1 C-N-CA 133.81 4.844 . . . . 0.0 119.161 171.398 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 110' ' ' ALA . 4.7 mttp -88.07 168.27 12.95 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 130.03 3.332 . . . . 0.0 108.596 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.55 87.87 2.8 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 128.822 2.849 . . . . 0.0 108.419 159.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.75 152.45 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.447 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 6.4 t -133.02 122.12 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 158.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -80.43 98.63 7.6 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 170.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.87 135.15 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -135.5 87.11 2.29 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.535 0.734 . . . . 0.0 110.353 -163.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.2 177.34 33.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.47 122.75 48.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.38 164.09 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -172.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 168.44 179.95 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 131.344 3.858 . . . . 0.0 105.836 168.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.96 4.09 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.549 1.522 . . . . 0.0 113.491 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -6.28 57.78 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.652 1.181 . . . . 0.0 113.161 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -137.17 -32.57 0.78 Allowed 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 126.081 1.752 . . . . 0.0 113.489 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 p -59.95 -33.39 71.85 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.198 1.817 . . . . 0.0 109.58 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -57.71 7.94 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 130.613 3.565 . . . . 0.0 110.265 169.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.11 -43.86 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.039 0.836 . . . . 0.0 111.503 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.54 -29.23 35.81 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 117.049 -1.453 . . . . 0.0 109.994 171.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -63.81 -60.61 3.06 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.901 1.682 . . . . 0.0 111.882 170.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -73.66 -25.72 60.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.284 -163.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.63 -38.64 58.77 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -40.68 95.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 172.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -62.04 -45.63 92.7 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.135 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.55 -47.86 82.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 118.837 0.744 . . . . 0.0 110.959 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -49.97 -45.11 51.17 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.68 -33.27 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 O-C-N 121.66 -0.65 . . . . 0.0 111.687 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -80.85 -10.31 59.73 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.83 173.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.7 p -88.91 -49.84 6.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.169 1.804 . . . . 0.0 108.726 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -62.22 103.3 0.37 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.372 1.469 . . . . 0.0 112.963 -160.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -71.05 14.37 0.15 Allowed 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 113.845 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HZ3' ' HB3' ' A' ' 10' ' ' GLU . 5.3 mmmm -103.91 155.29 18.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.05 2.14 . . . . 0.0 108.552 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -89.09 3.99 49.94 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.683 -0.635 . . . . 0.0 112.409 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.42 123.34 13.51 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 119.902 1.228 . . . . 0.0 108.934 -169.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.0 143.02 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -126.07 93.62 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 165.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.7 tp -79.75 99.87 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -174.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 110.24 19.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.125 2.57 . . . . 0.0 110.758 -170.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.9 7.99 36.87 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -160.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 2.6 t -63.37 -16.12 59.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.129 1.332 . . . . 0.0 113.845 -167.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -80.59 -20.82 42.44 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.529 1.513 . . . . 0.0 111.56 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 t -99.89 122.68 52.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 126.18 1.792 . . . . 0.0 108.2 -164.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -113.07 -42.33 3.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 119.522 1.055 . . . . 0.0 111.384 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -100.61 140.59 34.67 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.092 0.86 . . . . 0.0 109.734 -173.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.8 ttm -154.43 128.9 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.023 1.729 . . . . 0.0 109.827 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -100.92 -179.18 3.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.606 1.962 . . . . 0.0 109.852 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.4 63.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 121.059 1.754 . . . . 0.0 110.26 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.05 97.22 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.504 1.049 . . . . 0.0 112.303 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 mt -64.12 -59.77 4.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 117.892 0.846 . . . . 0.0 109.16 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.29 -17.16 59.04 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.788 -1.007 . . . . 0.0 114.174 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 m -57.61 -52.23 66.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 119.981 1.891 . . . . 0.0 108.894 165.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.62 -31.14 70.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 120.082 1.31 . . . . 0.0 111.449 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.85 -23.95 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.204 1.002 . . . . 0.0 110.857 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -68.07 -47.1 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.911 1.284 . . . . 0.0 109.408 162.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -66.18 -33.68 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.72 -52.02 63.77 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.032 -1.043 . . . . 0.0 109.856 168.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.27 -44.82 61.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.265 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -37.63 84.16 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.795 0.684 . . . . 0.0 110.646 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.56 83.7 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.003 0.819 . . . . 0.0 111.157 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -74.08 -32.33 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 117.833 -1.08 . . . . 0.0 111.6 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.07 -59.83 2.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -79.06 3.59 16.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.17 -173.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.55 60.4 5.45 Favored Glycine 0 C--N 1.319 -0.391 0 C-N-CA 127.508 2.48 . . . . 0.0 113.026 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.33 169.22 18.05 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.278 1.039 . . . . 0.0 113.133 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.67 163.21 19.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.41 1.884 . . . . 0.0 108.877 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -148.97 126.02 11.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.06 1.744 . . . . 0.0 106.849 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 46.6 mt -152.88 146.82 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 127.591 2.356 . . . . 0.0 105.123 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.71 167.11 12.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.412 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.77 166.75 25.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.021 1.329 . . . . 0.0 113.11 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 15.7 m 57.42 43.49 23.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.624 1.97 . . . . 0.0 112.798 158.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.58 109.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 130.377 3.471 . . . . 0.0 111.414 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -69.33 96.93 0.91 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 157.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 23.97 -79.44 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.171 2.188 . . . . 0.0 115.42 155.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -41.26 -66.02 0.38 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.41 1.884 . . . . 0.0 112.378 171.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.3 -60.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 C-N-CA 127.018 2.127 . . . . 0.0 107.38 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -32.34 -56.86 0.33 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 120.204 1.366 . . . . 0.0 111.245 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 31.7 mtt-85 -62.2 -46.57 88.29 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.115 -1.615 . . . . 0.0 113.893 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.03 -35.57 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 119.606 1.094 . . . . 0.0 110.08 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.62 -48.69 68.69 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.754 -1.216 . . . . 0.0 109.255 174.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 4.6 mppt? -56.38 -33.06 65.37 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 117.184 -1.389 . . . . 0.0 114.51 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -52.86 -58.96 5.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.611 1.55 . . . . 0.0 110.274 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.2 m -82.86 13.11 4.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.677 1.191 . . . . 0.0 110.766 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.7 m80 51.52 21.39 1.25 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.94 1.696 . . . . 0.0 113.059 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.98 -26.84 68.47 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.695 0.798 . . . . 0.0 110.891 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -17.96 1.59 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.25 1.82 . . . . 0.0 113.489 166.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -107.67 -14.86 14.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.581 1.552 . . . . 0.0 112.119 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.8 mt -90.89 -50.01 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 126.102 1.761 . . . . 0.0 106.877 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 8.6 m-85 -95.5 5.11 52.4 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 127.948 2.499 . . . . 0.0 111.813 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.35 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.591 -0.693 . . . . 0.0 109.222 -154.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -168.11 160.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 126.511 1.925 . . . . 0.0 106.218 158.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 p -132.11 141.9 49.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -31.14 70.08 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 120.39 -1.444 . . . . 0.0 109.505 169.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.1 p -143.12 156.26 44.76 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.231 1.012 . . . . 0.0 111.55 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.6 -21.27 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.593 0.757 . . . . 0.0 111.389 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.45 -16.57 63.95 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.195 1.398 . . . . 0.0 112.108 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.91 -4.56 46.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.468 1.031 . . . . 0.0 113.336 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.431 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.242 0.694 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -138.82 177.5 7.84 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.2 t30 62.82 -82.15 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 127.307 2.243 . . . . 0.0 111.863 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.24 137.48 32.31 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.188 1.395 . . . . 0.0 108.082 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.71 149.84 41.05 Favored 'General case' 0 N--CA 1.461 0.125 0 C-N-CA 123.384 0.674 . . . . 0.0 110.103 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -115.53 134.48 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.98 81.34 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.669 0.787 . . . . 0.0 109.409 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.2 mt -82.62 123.65 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.19 1.396 . . . . 0.0 109.129 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.51 147.91 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 127.605 2.362 . . . . 0.0 107.483 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -131.18 82.59 2.05 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -135.77 164.04 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 46.73 37.75 5.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.549 1.54 . . . . 0.0 111.609 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.2 16.4 10.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 128.967 2.907 . . . . 0.0 114.152 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -133.43 137.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.826 1.65 . . . . 0.0 107.715 -169.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.61 113.29 20.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mt -120.07 126.11 74.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.72 109.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -169.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -77.23 101.58 6.29 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.0 t -72.83 112.98 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 125.252 1.421 . . . . 0.0 108.072 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -113.65 122.32 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.95 1.7 . . . . 0.0 107.01 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.86 177.16 14.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.03 1.3 . . . . 0.0 111.223 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.81 111.52 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.336 1.854 . . . . 0.0 109.581 -164.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -83.59 62.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.206 1.402 . . . . 0.0 110.041 -153.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -81.77 175.93 10.03 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.037 -1.664 . . . . 0.0 109.298 165.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -8.19 4.67 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.171 -1.581 . . . . 0.0 114.306 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -81.33 -4.62 56.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.714 1.143 . . . . 0.0 111.791 170.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -138.24 -44.94 0.51 Allowed 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.771 1.228 . . . . 0.0 111.265 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -47.77 -39.0 16.78 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.895 1.678 . . . . 0.0 111.292 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -54.16 45.88 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 128.446 2.698 . . . . 0.0 112.021 172.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.26 -43.89 12.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.408 -1.432 . . . . 0.0 112.265 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tt -47.42 -34.31 7.03 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.361 1.065 . . . . 0.0 110.061 165.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -68.96 -54.17 16.79 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 119.763 1.165 . . . . 0.0 110.73 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.64 -28.94 66.15 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.409 1.084 . . . . 0.0 111.032 -173.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -96.26 -36.86 10.76 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.858 1.263 . . . . 0.0 108.912 -169.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.0 mt -72.1 -34.84 68.95 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.582 173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -57.99 8.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 166.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -40.54 95.8 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.912 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.51 -50.51 59.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.549 1.14 . . . . 0.0 110.551 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.07 -29.11 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.915 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -23.7 61.77 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.909 1.284 . . . . 0.0 112.736 174.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -92.39 -60.51 1.82 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 120.407 1.458 . . . . 0.0 108.098 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -58.32 122.92 14.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.66 0.743 . . . . 0.0 111.99 -153.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.6 p -65.46 -9.57 26.76 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.841 -1.162 . . . . 0.0 113.999 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -78.76 119.84 22.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -75.36 6.9 3.98 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.049 -0.407 . . . . 0.0 111.619 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.65 125.42 33.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.109 1.763 . . . . 0.0 106.561 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.17 137.74 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.91 99.85 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 126.84 2.056 . . . . 0.0 105.948 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 tp -84.13 83.75 7.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.203 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.77 104.78 2.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.666 0.787 . . . . 0.0 111.151 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.04 18.07 7.21 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.567 0.747 . . . . 0.0 112.45 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -62.31 -15.79 50.06 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.8 m -107.98 -11.44 15.32 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.519 1.054 . . . . 0.0 112.339 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.05 144.43 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 119.445 1.02 . . . . 0.0 108.26 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -141.92 -39.87 0.37 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.161 . . . . 0.0 111.253 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -104.75 149.38 25.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.032 0.933 . . . . 0.0 109.352 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.3 ttp -157.83 123.71 4.66 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.705 1.202 . . . . 0.0 110.847 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.51 169.14 18.46 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.724 1.61 . . . . 0.0 110.069 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.61 -54.31 45.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.673 0.789 . . . . 0.0 109.267 168.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.53 -34.69 49.86 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.284 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.6 tp -76.2 -17.66 59.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.251 1.02 . . . . 0.0 113.602 -173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.71 -34.44 7.82 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 118.657 -1.08 . . . . 0.0 110.872 164.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -56.49 -52.36 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.526 1.663 . . . . 0.0 111.294 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.85 -28.02 67.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 122.612 2.46 . . . . 0.0 111.795 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.78 -35.06 63.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 121.533 -0.729 . . . . 0.0 110.632 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.92 -50.85 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 120.849 -1.157 . . . . 0.0 109.008 165.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.495 0.718 . . . . 0.0 109.398 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.89 -52.41 63.21 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.686 -0.633 . . . . 0.0 110.56 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -52.49 -36.23 54.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.218 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -36.78 74.66 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.692 0.678 . . . . 0.0 112.194 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.5 65.29 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.619 1.168 . . . . 0.0 110.252 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -72.89 -30.65 64.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 117.111 -1.423 . . . . 0.0 112.519 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.91 -58.67 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 119.923 1.238 . . . . 0.0 108.233 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -73.86 -3.24 27.58 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.46 59.02 11.38 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 126.73 2.109 . . . . 0.0 112.123 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.13 170.58 15.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 117.772 0.786 . . . . 0.0 111.091 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.82 161.01 31.25 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 166.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -139.2 113.9 9.2 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 164.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 15.6 mt -124.84 150.08 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -89.4 -139.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.0 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.5 t 164.84 167.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.32 3.048 . . . . 0.0 109.781 154.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m 61.34 61.37 1.54 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.034 2.134 . . . . 0.0 113.076 165.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.44 112.55 15.59 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.129 2.572 . . . . 0.0 112.122 -175.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -76.07 142.38 41.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 117.218 -1.372 . . . . 0.0 108.125 165.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -34.1 -54.29 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.324 1.849 . . . . 0.0 114.579 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -62.15 -62.48 1.75 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.104 0.865 . . . . 0.0 111.848 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.8 mm -49.89 -53.73 9.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 107.88 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.43 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 6.1 t -40.54 -58.52 1.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.642 1.977 . . . . 0.0 110.051 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -51.71 -54.17 31.26 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 123.862 0.865 . . . . 0.0 110.859 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.442 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 64.2 mt -56.84 -39.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 126.967 2.107 . . . . 0.0 109.376 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.28 -44.08 92.79 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 120.585 -1.322 . . . . 0.0 109.89 174.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.43 ' HE2' ' O ' ' A' ' 89' ' ' SER . 1.5 mppt? -67.74 -26.32 66.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 7.3 mt -57.67 -58.14 9.66 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.213 1.405 . . . . 0.0 110.797 -174.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.45 19.47 2.79 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.818 0.735 . . . . 0.0 111.109 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.3 m170 46.87 34.86 2.84 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 126.373 1.869 . . . . 0.0 113.43 -170.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.39 -29.53 70.6 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.726 0.811 . . . . 0.0 109.336 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.55 -11.01 2.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.362 2.265 . . . . 0.0 116.034 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -113.0 -5.99 13.76 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.887 1.676 . . . . 0.0 112.67 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.77 -65.2 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -84.44 16.3 3.19 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 126.903 2.081 . . . . 0.0 111.932 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 47.23 -168.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.596 1.089 . . . . 0.0 110.676 -168.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -161.99 161.09 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.59 155.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 109' ' ' GLU . 61.7 p -146.38 150.72 36.22 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 108.885 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.34 -34.22 65.52 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 163.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -144.75 157.11 44.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 123.005 0.522 . . . . 0.0 110.254 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.51 -39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 127.901 2.48 . . . . 0.0 111.542 161.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -59.04 -26.49 64.62 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.227 0.611 . . . . 0.0 111.198 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' HB3' ' HB ' ' A' ' 104' ' ' THR . 1.0 OUTLIER -100.22 4.31 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.271 1.428 . . . . 0.0 111.706 -174.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.167 -174.228 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -156.69 155.17 31.26 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.87 -37.62 79.86 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.063 0.945 . . . . 0.0 109.792 164.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.62 121.93 14.58 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.056 0.542 . . . . 0.0 109.994 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 162.38 32.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.26 1.024 . . . . 0.0 109.519 169.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -145.84 105.81 4.01 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.18 83.72 1.81 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -167.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 mt -83.9 133.91 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.865 2.066 . . . . 0.0 108.278 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.0 t -135.24 143.3 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 126.259 1.824 . . . . 0.0 108.53 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -136.19 37.47 2.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.68 1.992 . . . . 0.0 109.126 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -60.64 -11.69 8.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.452 1.101 . . . . 0.0 113.029 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -142.71 -175.47 4.5 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.382 2.673 . . . . 0.0 105.95 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.87 4.81 1.32 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -174.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -114.31 123.23 48.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.13 112.86 16.76 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.149 0.98 . . . . 0.0 108.61 169.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -122.46 126.25 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 106.617 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.86 108.46 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -172.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -69.18 95.05 0.72 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 124.068 0.947 . . . . 0.0 109.154 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 t -67.65 131.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 164.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.3 113.19 12.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.96 -164.43 38.08 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -144.14 15.22 1.69 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.751 1.275 . . . . 0.0 112.891 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.267 32.8 mt 40.74 70.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.612 1 C-N-CA 133.15 4.58 . . . . 0.0 113.362 171.827 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -109.06 -174.98 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 127.85 2.46 . . . . 0.0 108.947 172.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.22 -10.71 60.14 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.475 -1.39 . . . . 0.0 114.559 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -5.05 45.81 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.781 -1.199 . . . . 0.0 111.646 171.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -143.67 -41.61 0.29 Allowed 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.522 -160.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -61.12 -39.44 90.03 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.638 1.108 . . . . 0.0 108.863 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.94 -50.23 5.84 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.544 1.937 . . . . 0.0 112.217 164.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -55.61 3.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.807 1.243 . . . . 0.0 109.942 -170.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tt -44.73 -33.55 1.91 Allowed 'General case' 0 CA--C 1.511 -0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 110.192 169.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -67.05 -56.59 9.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 120.074 1.306 . . . . 0.0 112.014 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.55 -26.78 65.58 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 118.662 0.665 . . . . 0.0 110.794 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -81.21 -38.06 27.62 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.483 1.113 . . . . 0.0 108.82 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.17 -35.85 81.66 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.724 166.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.16 70.21 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -54.76 29.33 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.368 1.067 . . . . 0.0 110.19 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -49.25 -60.47 2.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.041 2.137 . . . . 0.0 110.341 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -27.42 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.45 -173.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 m -78.98 -49.09 13.3 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.894 1.679 . . . . 0.0 112.228 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.4 14.56 1.2 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.866 1.667 . . . . 0.0 112.361 -164.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 t -121.79 118.0 27.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.664 1.586 . . . . 0.0 109.243 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 11.02 0.43 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.942 1.697 . . . . 0.0 111.946 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.21 119.03 37.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 119.619 -1.926 . . . . 0.0 106.982 -164.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.86 -33.91 76.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.822 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 140.29 31.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 178.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.0 mm -126.1 124.03 65.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -111.86 103.31 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 174.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 tp -84.66 101.85 12.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -84.87 119.39 25.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 mt -111.81 19.98 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.546 0.338 . . . . 0.0 111.684 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -55.42 -22.43 20.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.108 1.763 . . . . 0.0 114.119 -170.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -108.67 -6.5 15.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.327 1.051 . . . . 0.0 112.914 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -92.57 135.99 26.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -130.31 -40.19 1.29 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.529 0.732 . . . . 0.0 112.214 -174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -75.48 -78.86 0.1 Allowed 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.998 0.919 . . . . 0.0 110.25 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.8 ttp 52.91 125.32 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 0 C-N-CA 128.442 2.697 . . . . 0.0 115.363 -163.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -94.82 177.38 5.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.975 2.11 . . . . 0.0 110.657 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.7 89.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.405 0.682 . . . . 0.0 110.202 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.9 -42.59 53.9 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 125.769 1.652 . . . . 0.0 113.115 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.7 tp -75.78 -16.62 60.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.32 -36.64 5.86 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 118.231 -1.316 . . . . 0.0 110.631 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -52.47 -50.81 61.95 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 119.992 1.896 . . . . 0.0 110.244 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.47 -29.55 66.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.866 2.121 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.71 -28.75 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 O-C-N 121.168 -0.957 . . . . 0.0 109.899 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.62 -53.28 49.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.639 -1.288 . . . . 0.0 108.862 165.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mm -54.72 -39.06 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 125.574 1.55 . . . . 0.0 108.968 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 HD11 ' HE3' ' A' ' 73' ' ' LYS . 38.0 tp -63.78 -49.5 72.7 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 120.532 -1.355 . . . . 0.0 111.039 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -54.14 -35.53 62.32 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -68.86 -42.84 76.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.73 1.212 . . . . 0.0 112.099 176.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.67 72.28 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.881 0.872 . . . . 0.0 109.924 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HE3' HD11 ' A' ' 69' ' ' LEU . 22.1 mmtp -72.36 -33.68 67.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.279 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -53.5 -61.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.812 1.187 . . . . 0.0 108.498 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.36 -3.9 23.24 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.852 0.834 . . . . 0.0 111.88 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.06 58.04 13.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 129.53 3.443 . . . . 0.0 111.746 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -141.6 -175.24 4.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.889 0.845 . . . . 0.0 111.902 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -100.73 159.87 14.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.931 1.293 . . . . 0.0 107.546 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -151.9 108.15 3.42 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.4 mt -128.91 152.56 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.996 1.318 . . . . 0.0 109.025 -174.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.94 176.55 5.07 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 119.096 0.862 . . . . 0.0 108.933 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.26 169.36 16.03 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.77 -0.581 . . . . 0.0 110.34 -167.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m 43.5 64.61 1.19 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.936 1.695 . . . . 0.0 112.843 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 111.79 6.92 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.378 2.671 . . . . 0.0 108.292 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -69.17 158.24 35.3 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 156.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.45 -50.16 42.22 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.108 0.963 . . . . 0.0 111.067 -172.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.7 m -57.92 -68.19 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.999 2.12 . . . . 0.0 110.776 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.6 mm -52.87 -50.34 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.661 1.184 . . . . 0.0 109.899 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -42.14 -57.66 2.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 110.955 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -54.17 30.14 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.218 1.407 . . . . 0.0 110.292 -175.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.416 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 46.5 mt -52.55 -44.65 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.285 2.234 . . . . 0.0 109.33 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.63 -33.68 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 120.858 -1.151 . . . . 0.0 109.991 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -24.05 55.01 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 168.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 16.8 mt -53.74 -68.18 0.2 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 120.951 1.705 . . . . 0.0 109.939 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -85.47 23.01 1.42 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.352 0.661 . . . . 0.0 111.212 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 50.76 34.67 10.47 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 124.663 1.185 . . . . 0.0 112.204 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.27 -26.86 66.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -64.76 -3.87 3.74 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.044 2.138 . . . . 0.0 113.479 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -106.32 -0.12 24.59 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 118.027 -2.921 . . . . 0.0 112.559 166.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.8 mt -111.13 -70.97 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.02 10.43 4.31 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.5 1.12 . . . . 0.0 112.128 173.571 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.513 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 6.7 ttpt 45.2 -153.4 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.025 0.93 . . . . 0.0 109.23 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.513 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.93 161.46 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 127.138 2.175 . . . . 0.0 107.586 171.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -139.36 157.03 46.58 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -42.54 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 164.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 p -136.06 164.94 26.85 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.16 -33.04 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.512 1.525 . . . . 0.0 110.573 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.55 -8.55 48.2 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.206 1.003 . . . . 0.0 112.31 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.08 9.72 28.3 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.988 1.267 . . . . 0.0 113.57 173.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.28 177.033 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -141.49 166.78 23.81 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 108.443 165.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -160.13 159.86 32.28 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.421 2.689 . . . . 0.0 105.911 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.18 142.21 35.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.394 1.078 . . . . 0.0 109.8 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -136.45 162.78 32.12 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.496 1.118 . . . . 0.0 111.541 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -141.89 95.98 2.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 128.097 2.559 . . . . 0.0 107.7 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 92.99 8.26 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.1 mt -88.99 122.23 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 124.425 1.09 . . . . 0.0 108.196 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 t -139.87 118.22 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 124.997 1.319 . . . . 0.0 109.661 -169.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.8 -12.47 60.7 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 38.25 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 130.954 3.702 . . . . 0.0 113.231 -174.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.96 117.27 11.91 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.868 1.213 . . . . 0.0 108.918 147.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 54.7 30.22 13.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.433 2.293 . . . . 0.0 115.073 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -147.89 114.55 6.02 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.761 -1.212 . . . . 0.0 107.809 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 88.83 5.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.27 151.88 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 83.8 t -139.27 107.46 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -76.7 94.95 3.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.5 142.0 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -147.92 110.76 4.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.26 -162.06 34.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.89 103.29 3.88 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mt -76.65 111.64 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -161.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -144.92 -162.01 1.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 164.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -7.48 1.56 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -98.52 4.27 48.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 120.551 1.523 . . . . 0.0 112.576 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -148.52 -28.81 0.3 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 118.404 -0.807 . . . . 0.0 112.733 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -57.28 -44.66 84.22 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 120.501 1.501 . . . . 0.0 108.15 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.8 -27.67 52.4 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 126.413 1.885 . . . . 0.0 113.539 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.05 -43.91 3.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.784 2.034 . . . . 0.0 109.593 -170.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.67 -33.82 35.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.837 -1.164 . . . . 0.0 109.397 167.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.43 -54.42 24.41 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 118.424 0.556 . . . . 0.0 111.965 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.75 -32.73 74.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.133 0.879 . . . . 0.0 110.909 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.99 -34.55 24.33 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -170.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -44.44 95.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.022 164.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -56.84 -48.32 78.31 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.451 1.023 . . . . 0.0 109.164 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -51.79 -53.18 42.79 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 125.189 1.396 . . . . 0.0 110.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.13 -56.04 26.92 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.894 1.677 . . . . 0.0 110.158 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -37.59 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.617 1.967 . . . . 0.0 110.702 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -67.83 -50.95 53.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.391 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -77.96 -25.66 48.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.457 1.026 . . . . 0.0 111.146 -166.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -70.28 112.84 6.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.947 0.88 . . . . 0.0 110.505 -170.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 m -57.67 -19.38 26.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.694 0.798 . . . . 0.0 112.645 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -78.98 131.67 36.4 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -170.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -31.62 72.17 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.815 170.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 120.44 42.3 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.953 1.301 . . . . 0.0 109.356 -160.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.21 129.59 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 105.663 -1.976 . . . . 0.0 105.663 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.9 95.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -80.01 100.91 8.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.15 120.87 27.13 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 125.993 1.717 . . . . 0.0 108.452 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 1.9 mt -123.05 38.05 4.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -68.02 -27.99 67.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.1 -0.375 . . . . 0.0 111.022 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -82.81 -28.99 29.84 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.624 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 12.2 p -73.67 131.55 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.325 1.42 . . . . 0.0 111.596 -169.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 m -110.92 -27.03 8.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.577 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -110.61 145.32 38.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.105 1.32 . . . . 0.0 110.472 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 ttp -149.98 116.61 5.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.249 1.42 . . . . 0.0 108.976 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.87 172.06 11.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 127.032 2.133 . . . . 0.0 109.025 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.69 -28.12 69.18 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.544 1.065 . . . . 0.0 111.416 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.61 -34.85 73.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 124.222 0.915 . . . . 0.0 112.221 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.91 -53.83 18.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.428 1.114 . . . . 0.0 110.265 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.96 -29.41 59.12 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.97 -0.905 . . . . 0.0 111.628 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.5 m -58.74 -53.86 53.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.405 1.103 . . . . 0.0 109.485 172.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.75 -33.97 67.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.603 1.547 . . . . 0.0 110.933 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.88 -39.04 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.687 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.18 -55.54 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.854 1.207 . . . . 0.0 108.684 167.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.34 -45.48 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.764 0.825 . . . . 0.0 109.138 -171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.2 -54.79 41.66 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.496 0.718 . . . . 0.0 110.923 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -55.0 -30.97 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.386 0.275 . . . . 0.0 111.019 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.79 23.91 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.74 2.016 . . . . 0.0 111.639 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.64 -44.05 18.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.771 1.228 . . . . 0.0 111.911 172.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.15 -41.95 80.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 116.857 -1.544 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.93 -50.02 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 120.074 1.307 . . . . 0.0 109.168 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.86 -8.09 55.44 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -172.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.89 69.55 1.33 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 128.691 3.043 . . . . 0.0 110.475 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -145.72 169.69 17.99 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.83 107.98 19.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 130.057 3.343 . . . . 0.0 106.736 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -108.0 112.36 24.9 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 108.827 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.45 153.29 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 124.106 0.963 . . . . 0.0 108.433 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.6 173.45 6.61 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.901 0.88 . . . . 0.0 109.959 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.66 160.88 26.18 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.86 0.864 . . . . 0.0 111.243 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 m 59.62 50.45 7.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.56 1.544 . . . . 0.0 113.12 167.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.25 97.78 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 131.379 3.871 . . . . 0.0 112.289 -177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -72.18 87.33 1.09 Allowed 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 127.153 2.181 . . . . 0.0 107.035 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 24.42 -76.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.124 3.37 . . . . 0.0 115.065 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.19 -66.37 0.36 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.639 1.176 . . . . 0.0 110.993 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.8 mp -48.47 -58.63 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 125.291 1.436 . . . . 0.0 107.869 174.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.424 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 1.3 t -34.48 -60.38 0.42 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.723 1.601 . . . . 0.0 113.406 173.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -54.34 21.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.99 1.268 . . . . 0.0 110.943 173.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 67.9 mt -67.33 -23.67 30.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 124.695 1.198 . . . . 0.0 108.957 -161.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.59 -44.28 28.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.9 -1.75 . . . . 0.0 108.918 174.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 89' ' ' SER . 2.3 mppt? -70.79 -28.52 64.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.498 ' HG ' ' HA ' ' A' ' 91' ' ' ILE 0.306 0.1 OUTLIER -56.24 -36.59 68.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.871 1.269 . . . . 0.0 109.575 -173.943 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 p -98.78 7.9 45.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.595 2.758 . . . . 0.0 112.829 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m170 59.08 22.48 10.57 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 120.256 -1.528 . . . . 0.0 113.427 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.15 -13.64 62.01 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.495 -1.378 . . . . 0.0 110.288 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.91 -14.96 25.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.86 2.064 . . . . 0.0 114.76 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -111.17 -0.83 16.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.774 0.83 . . . . 0.0 112.232 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.2 mt -96.47 -38.4 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.332 1.053 . . . . 0.0 108.62 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -111.22 11.05 21.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.462 1.905 . . . . 0.0 112.234 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.528 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 9.1 ttpp 47.02 -159.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -157.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.528 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -164.87 168.37 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 126.525 1.93 . . . . 0.0 106.997 157.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.2 p -136.83 168.88 18.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 165.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.37 -45.27 22.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 157.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 p -134.88 156.89 48.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.195 1.398 . . . . 0.0 110.703 -163.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.66 -25.22 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.092 0.957 . . . . 0.0 110.901 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -67.5 -5.45 15.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.773 2.429 . . . . 0.0 112.992 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.55 13.22 8.73 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.734 0.813 . . . . 0.0 111.929 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 116.642 -1.647 . . . . 0.0 110.423 175.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -143.3 77.32 1.56 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.23 1.412 . . . . 0.0 107.469 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -84.52 -43.66 14.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.155 0.582 . . . . 0.0 110.007 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.52 124.2 19.99 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.523 1.129 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -144.17 167.4 22.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.126 2.97 . . . . 0.0 110.128 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -147.5 114.07 6.0 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.787 1.635 . . . . 0.0 108.39 -171.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.65 83.42 2.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.779 1.632 . . . . 0.0 108.266 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 mt -82.08 142.23 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.7 1.2 . . . . 0.0 108.676 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -141.71 141.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 125.865 1.666 . . . . 0.0 108.272 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 12' ' ' ASP . 39.3 mt-10 -129.65 -136.02 0.22 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.899 1.279 . . . . 0.0 108.425 167.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.57 -2.99 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.677 2.391 . . . . 0.0 116.864 -169.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 10' ' ' GLU . 4.1 t70 -104.49 27.65 7.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.183 2.193 . . . . 0.0 109.526 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 59.73 -16.71 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.672 2.789 . . . . 0.0 116.384 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -98.76 169.05 9.75 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 128.452 2.701 . . . . 0.0 108.942 164.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.45 115.42 27.24 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 129.317 3.047 . . . . 0.0 107.446 164.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.58 125.67 71.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -131.04 104.09 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -169.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 mtp-105 -72.04 101.18 2.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.17 133.23 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 165.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -124.83 113.65 18.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.42 166.48 14.45 Favored Glycine 0 N--CA 1.465 0.574 0 CA-C-N 118.887 0.767 . . . . 0.0 111.302 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.9 179.1 6.78 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.511 1.124 . . . . 0.0 110.287 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.84 83.94 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 122.328 1.061 . . . . 0.0 108.607 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.8 -176.28 2.89 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.488 1.515 . . . . 0.0 108.463 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.44 -12.15 3.6 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.144 -1.597 . . . . 0.0 114.827 163.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -10.65 49.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 120.264 1.393 . . . . 0.0 111.521 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -133.71 -48.3 0.81 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.254 -164.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -53.87 -37.15 63.4 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 120.195 1.361 . . . . 0.0 110.017 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -26.34 8.16 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.479 1.111 . . . . 0.0 113.497 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -120.26 -49.87 2.26 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.767 2.027 . . . . 0.0 111.588 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -42.56 -35.53 1.11 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.211 1.404 . . . . 0.0 110.849 162.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -63.16 -65.15 0.73 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 119.323 0.965 . . . . 0.0 110.095 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.05 -20.55 66.21 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.587 0.63 . . . . 0.0 112.103 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.62 -41.56 21.3 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.0 mt -67.56 -28.93 68.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.995 0.918 . . . . 0.0 112.886 170.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -55.27 25.97 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.865 1.266 . . . . 0.0 108.6 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -45.54 86.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.148 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.1 -57.85 4.64 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.57 1.548 . . . . 0.0 110.769 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -30.69 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-N 118.494 0.588 . . . . 0.0 112.182 -177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -84.77 -10.34 57.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.216 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -109.37 -27.77 9.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.656 1.571 . . . . 0.0 112.091 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.8 t -65.26 115.89 6.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.144 -0.973 . . . . 0.0 110.001 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 4.37 4.69 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 120.487 -1.383 . . . . 0.0 114.243 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.08 149.01 23.4 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 119.141 -2.225 . . . . 0.0 108.472 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -87.34 -1.38 57.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.49 123.17 35.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 -172.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -124.12 125.52 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.47 -2.419 . . . . 0.0 104.47 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.99 106.84 19.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 tp -87.65 97.68 11.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.175 0.99 . . . . 0.0 108.397 -175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.08 114.05 13.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.52 16.13 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 110.595 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.45 -1.68 2.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.905 1.282 . . . . 0.0 113.634 -165.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.02 -4.56 4.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.435 1.494 . . . . 0.0 113.307 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.31 130.99 35.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.42 -50.29 2.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -98.41 150.3 21.76 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.879 0.871 . . . . 0.0 108.753 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.0 ttm -151.35 112.31 4.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.875 2.07 . . . . 0.0 106.322 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -83.0 177.95 8.38 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.635 0.585 . . . . 0.0 110.432 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -18.5 51.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.392 0.677 . . . . 0.0 112.34 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.82 85.69 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 118.895 0.77 . . . . 0.0 114.523 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -67.78 -52.89 31.98 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 117.328 0.564 . . . . 0.0 110.475 -169.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.07 -29.03 69.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.845 -0.975 . . . . 0.0 112.629 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.3 m -58.4 -53.01 63.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 115.3 -2.286 . . . . 0.0 110.367 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.83 -37.91 60.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 122.802 2.546 . . . . 0.0 109.85 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.82 -28.34 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 O-C-N 121.45 -0.781 . . . . 0.0 110.437 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.8 -51.04 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.685 1.129 . . . . 0.0 108.818 161.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.37 -37.86 75.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.19 -55.65 32.19 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.031 -1.043 . . . . 0.0 109.092 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -57.07 -38.35 73.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.592 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -33.58 75.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 118.054 0.388 . . . . 0.0 111.604 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.3 70.46 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 109.973 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.92 -31.94 69.98 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.827 -0.546 . . . . 0.0 110.466 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -57.94 -46.49 87.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 118.973 0.806 . . . . 0.0 110.423 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.41 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 35.0 m-80 -82.31 -4.0 56.39 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.249 1.02 . . . . 0.0 112.88 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.7 61.82 4.74 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.478 1.99 . . . . 0.0 111.25 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 15.6 ptpt -153.98 -176.97 6.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.015 0.907 . . . . 0.0 112.698 -175.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.3 169.6 9.46 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.529 1.531 . . . . 0.0 111.193 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.55 107.89 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 112.734 -2.03 . . . . 0.0 109.601 -172.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mt -133.88 144.47 35.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 124.676 1.19 . . . . 0.0 109.38 -172.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.77 152.41 34.43 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -171.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -149.95 165.21 33.32 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.03 -160.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m 56.69 46.25 20.48 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.555 1.645 . . . . 0.0 112.289 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.76 101.07 1.0 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 128.705 2.802 . . . . 0.0 111.476 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -59.89 162.38 5.55 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.497 170.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -49.04 -56.48 8.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.509 1.124 . . . . 0.0 112.041 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -63.13 -58.22 7.97 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.879 0.872 . . . . 0.0 111.364 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mm -57.51 -51.77 65.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-O 116.48 -1.724 . . . . 0.0 107.494 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -37.88 -56.31 1.12 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.654 1.57 . . . . 0.0 109.904 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -47.57 78.18 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.429 1.092 . . . . 0.0 112.112 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.5 mt -70.64 11.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.789 2.436 . . . . 0.0 111.486 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.2 -39.49 5.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 118.664 -2.522 . . . . 0.0 109.251 160.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.71 63.64 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.022 -1.049 . . . . 0.0 113.444 174.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -34.21 64.13 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.571 1.948 . . . . 0.0 114.678 -172.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.06 21.41 11.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.848 1.259 . . . . 0.0 110.073 176.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.7 m80 56.06 40.97 30.18 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.664 1.185 . . . . 0.0 110.396 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 34.8 mt -79.34 -23.71 43.24 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 109.821 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.67 -5.25 3.8 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.038 2.135 . . . . 0.0 114.933 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -114.36 1.75 14.52 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.118 1.367 . . . . 0.0 112.723 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.9 mt -103.9 -30.02 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.703 1.201 . . . . 0.0 108.109 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 2.5 m-85 -127.46 16.96 7.05 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.273 1.829 . . . . 0.0 111.465 -175.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 10.8 tttp 48.75 -160.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -165.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.477 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -171.41 154.55 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 125.47 1.508 . . . . 0.0 107.821 158.093 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.531 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 44.9 p -142.85 118.23 10.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -167.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.2 -33.66 65.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.053 -1.654 . . . . 0.0 110.532 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.3 p -136.43 162.93 31.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 123.901 0.751 . . . . 0.0 111.54 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.95 -24.81 24.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.614 1.566 . . . . 0.0 111.516 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.23 -19.84 63.95 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.958 0.903 . . . . 0.0 112.793 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.19 -2.43 56.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.719 1.145 . . . . 0.0 113.071 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.267 0 CA-C-N 119.228 0.922 . . . . 0.0 111.224 -174.055 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -65.85 126.44 28.51 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.583 1.553 . . . . 0.0 108.048 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -142.53 178.0 7.9 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 166.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -75.55 118.39 18.35 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 111.15 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -127.74 165.69 19.59 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.075 2.15 . . . . 0.0 110.688 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.1 mt -136.83 151.02 48.66 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.05 2.14 . . . . 0.0 105.708 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.76 83.61 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -74.36 128.39 36.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.1 t -139.42 131.34 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -133.52 98.05 4.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.66 1.184 . . . . 0.0 110.552 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -135.25 -48.84 0.72 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.463 0.705 . . . . 0.0 110.157 168.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -80.49 59.4 3.5 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.422 1.106 . . . . 0.0 110.258 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 54.57 10.01 0.31 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.346 2.658 . . . . 0.0 115.321 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -140.86 162.56 35.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.041 -2.287 . . . . 0.0 106.386 -165.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.08 92.16 3.93 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.011 1.324 . . . . 0.0 108.695 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.55 147.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG11 ' HA ' ' A' ' 49' ' ' LEU . 1.2 p -148.96 112.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 118.268 0.485 . . . . 0.0 109.807 170.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -81.42 96.43 7.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.419 1.088 . . . . 0.0 108.833 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.4 123.9 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 109.065 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.44 115.88 15.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.214 1.805 . . . . 0.0 108.724 -169.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.32 167.09 25.68 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -83.88 173.66 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.497 1.119 . . . . 0.0 111.312 -161.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.56 40.91 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 121.622 0.725 . . . . 0.0 109.749 -164.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -90.09 -172.86 3.64 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 117.821 -3.049 . . . . 0.0 107.641 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.61 -0.16 0.25 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.156 2.182 . . . . 0.0 114.994 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -95.03 -7.84 38.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 127.348 2.259 . . . . 0.0 113.069 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -148.84 -41.23 0.15 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.145 -162.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.1 p -56.76 -36.3 69.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.384 0.993 . . . . 0.0 108.909 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -24.76 63.4 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.389 1.475 . . . . 0.0 113.313 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -85.61 -60.79 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.22 -32.33 0.48 Allowed 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 127.956 2.503 . . . . 0.0 111.342 169.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -64.83 -54.46 30.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 118.573 0.624 . . . . 0.0 111.362 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -71.31 -6.23 38.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.447 1.021 . . . . 0.0 113.152 -170.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.52 -46.05 4.67 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 125.952 1.701 . . . . 0.0 106.482 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.12 -35.26 80.03 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.221 -0.924 . . . . 0.0 111.971 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.87 -13.13 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.106 -0.996 . . . . 0.0 111.313 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.41 -55.95 3.66 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 120.932 -1.105 . . . . 0.0 108.959 168.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.05 -54.82 2.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 128.314 2.646 . . . . 0.0 111.181 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.46 -20.34 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -77.64 -24.78 49.42 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.996 165.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 t -129.24 56.83 1.67 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.943 1.701 . . . . 0.0 109.66 -167.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -133.5 -39.65 0.9 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.004 1.321 . . . . 0.0 112.537 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m 51.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.61 133.69 36.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 7.25 1.76 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 113.51 5.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 120.533 1.515 . . . . 0.0 109.575 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.66 132.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.2 t -121.55 97.86 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 C-N-CA 127.434 2.294 . . . . 0.0 106.537 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' HA ' HG11 ' A' ' 17' ' ' VAL . 13.4 tp -85.84 93.55 8.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 113.047 -1.888 . . . . 0.0 108.476 -174.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -89.92 121.65 32.22 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 125.331 1.453 . . . . 0.0 112.328 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.78 29.61 6.77 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -165.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 13.1 p -69.18 -5.54 23.21 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.714 -1.241 . . . . 0.0 112.938 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -122.1 -6.25 8.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 120.573 1.533 . . . . 0.0 114.089 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -72.28 -177.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.591 1.541 . . . . 0.0 108.76 157.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -150.13 -41.0 0.13 Allowed 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.876 -1.14 . . . . 0.0 111.469 152.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.07 124.97 41.22 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -168.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.7 ttm -133.42 124.34 26.94 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 125.45 1.5 . . . . 0.0 110.176 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -93.28 175.14 6.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.832 2.453 . . . . 0.0 109.72 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -15.2 58.21 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.123 0.969 . . . . 0.0 112.267 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.24 -32.32 6.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 125.074 1.321 . . . . 0.0 113.381 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.12 -52.19 50.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.857 1.263 . . . . 0.0 110.057 -167.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -9.1 44.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 123.941 0.782 . . . . 0.0 113.226 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 m -65.04 -51.29 62.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.868 169.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.59 -30.18 67.01 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.511 1.505 . . . . 0.0 110.816 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.6 -38.16 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 122.968 0.507 . . . . 0.0 110.773 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -57.43 -50.72 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 119.359 0.981 . . . . 0.0 109.339 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mm -59.32 -41.7 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.894 0.878 . . . . 0.0 108.762 -172.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -55.95 27.76 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.225 1.01 . . . . 0.0 111.18 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -47.03 -41.86 17.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.918 0.487 . . . . 0.0 110.479 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -34.13 77.11 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.46 76.41 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.312 1.445 . . . . 0.0 109.522 170.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -73.76 -28.09 61.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.95 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.86 -59.77 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 C-N-CA 124.385 1.074 . . . . 0.0 108.945 165.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -72.02 -5.13 32.84 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.04 62.67 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.751 1.167 . . . . 0.0 112.92 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.71 174.43 10.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.253 1.527 . . . . 0.0 112.343 167.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.9 162.64 13.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.82 1.248 . . . . 0.0 109.655 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -145.3 133.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.717 1.607 . . . . 0.0 108.612 -175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 65.8 mt -153.06 148.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 129.079 2.951 . . . . 0.0 105.891 -170.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.77 172.53 9.75 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.414 0.686 . . . . 0.0 110.148 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -155.6 152.47 28.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.609 0.568 . . . . 0.0 111.382 -160.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 52' ' ' SER . 5.0 m 54.38 55.8 7.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.148 2.579 . . . . 0.0 115.33 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.566 ' CD2' ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -61.82 119.84 9.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 130.551 3.541 . . . . 0.0 110.654 178.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -85.62 159.29 19.88 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.548 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.09 -14.58 61.99 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -73.28 -79.71 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 161.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.1 mm -40.91 -58.16 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 C-N-CA 128.213 2.605 . . . . 0.0 110.079 -173.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 t -45.71 -59.13 2.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.091 1.756 . . . . 0.0 110.268 -171.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -60.03 -43.48 95.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.393 -0.817 . . . . 0.0 110.609 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.4 -36.0 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.786 1.235 . . . . 0.0 110.729 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.93 -45.41 74.39 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.814 -1.179 . . . . 0.0 110.126 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.54 75.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 117.966 -1.016 . . . . 0.0 113.331 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.19 -55.95 9.13 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.093 1.757 . . . . 0.0 110.553 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.32 8.75 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.359 1.864 . . . . 0.0 112.503 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.7 m80 52.96 27.42 5.55 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.103 1.319 . . . . 0.0 113.389 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.72 -19.79 60.7 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.687 1.195 . . . . 0.0 110.518 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.52 -6.69 5.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.91 2.084 . . . . 0.0 114.497 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.49 6.18 7.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.674 1.99 . . . . 0.0 111.232 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.0 mt -107.56 -46.04 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.733 1.613 . . . . 0.0 107.492 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.8 m-30 -104.31 13.43 32.12 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 126.169 1.788 . . . . 0.0 109.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 6.6 ttpp 46.47 -159.6 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.108 0.867 . . . . 0.0 109.689 -161.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.426 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.9 OUTLIER -167.89 163.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.077 2.151 . . . . 0.0 105.535 152.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.5 p -139.0 143.32 38.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.14 -33.2 74.94 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.81 172.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.5 p -141.55 166.6 24.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.028 0.831 . . . . 0.0 111.979 166.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.7 -23.53 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 126.419 1.888 . . . . 0.0 112.394 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.76 1.27 50.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.127 1.371 . . . . 0.0 112.016 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.8 7.44 37.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.299 0.954 . . . . 0.0 113.084 161.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 119.287 0.949 . . . . 0.0 110.121 -178.634 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -82.29 -40.98 20.74 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.906 0.882 . . . . 0.0 108.873 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.7 t30 54.69 -72.1 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.052 2.141 . . . . 0.0 112.201 -166.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.13 132.9 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.48 1.512 . . . . 0.0 111.463 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -151.21 168.38 24.88 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.876 2.07 . . . . 0.0 110.84 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 mt -145.9 105.73 3.99 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.131 1.332 . . . . 0.0 113.083 -165.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -85.45 67.96 10.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.202 1.001 . . . . 0.0 111.56 -175.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 mt -70.41 127.33 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 120.685 -1.259 . . . . 0.0 109.119 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.7 t -141.36 127.27 19.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -102.84 94.97 5.87 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -141.26 -37.1 0.43 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 28.12 1.17 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.258 0.936 . . . . 0.0 111.703 -176.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.06 14.73 9.77 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.827 1.651 . . . . 0.0 112.78 -169.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 158.62 41.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 129.646 3.178 . . . . 0.0 107.131 176.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.51 88.38 5.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.462 1.905 . . . . 0.0 107.412 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.57 154.29 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -150.23 104.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -81.58 98.92 8.56 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 t -60.98 139.45 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -125.24 135.9 53.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.97 167.72 12.8 Favored Glycine 0 C--O 1.224 -0.476 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -173.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -121.28 128.89 52.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.8 mt -95.23 117.05 38.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 122.958 1.361 . . . . 0.0 108.878 -157.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -136.14 178.61 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.58 0.11 0.36 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.085 1.354 . . . . 0.0 113.758 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.52 -13.61 34.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.105 1.762 . . . . 0.0 113.035 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -138.2 -36.84 0.58 Allowed 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 117.798 -1.096 . . . . 0.0 111.948 -163.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -49.46 -48.35 47.73 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.39 1.076 . . . . 0.0 108.816 173.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.03 -45.16 1.19 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 129.343 3.057 . . . . 0.0 113.348 169.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.98 -46.09 6.03 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 109.538 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -42.9 -39.65 2.63 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.624 1.17 . . . . 0.0 110.177 165.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.1 ttpt -60.16 -59.17 5.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 123.918 0.761 . . . . 0.0 111.786 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 11.0 pt-20 -66.83 -26.86 67.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.869 0.759 . . . . 0.0 110.863 -172.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.94 -41.57 22.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.348 1.059 . . . . 0.0 109.032 -175.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.0 -41.56 87.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 110.807 165.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -61.04 -44.27 97.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.873 0.76 . . . . 0.0 109.941 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.24 -54.2 49.6 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.12 0.568 . . . . 0.0 110.978 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -51.57 -46.93 63.63 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.955 1.702 . . . . 0.0 111.684 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mt -69.41 -25.64 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.778 -1.201 . . . . 0.0 110.524 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -40.43 69.24 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.326 1.421 . . . . 0.0 110.228 173.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -87.21 -48.87 7.69 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.609 0.764 . . . . 0.0 111.149 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.83 125.91 25.49 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.722 0.773 . . . . 0.0 110.625 -158.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -75.25 -25.08 57.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.244 1.417 . . . . 0.0 111.59 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -82.32 120.36 25.31 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.68 1.22 5.57 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 103.46 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.399 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.84 130.92 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 126.587 1.955 . . . . 0.0 106.275 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -128.48 99.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 106.26 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 tp -89.66 88.3 7.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.892 -170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.22 101.1 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.53 11.02 4.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 120.112 -1.618 . . . . 0.0 111.147 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -53.38 -15.83 1.17 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -155.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.9 m -98.26 -36.03 10.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 119.989 -1.694 . . . . 0.0 111.877 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -55.7 110.61 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.761 1.624 . . . . 0.0 109.642 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -97.24 -48.42 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.565 -0.709 . . . . 0.0 110.068 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -87.53 146.81 25.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.281 0.363 . . . . 0.0 110.609 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.4 ttm -148.61 117.89 6.87 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.882 1.273 . . . . 0.0 109.036 170.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -80.03 162.16 25.01 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 162.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.91 56.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.806 1.242 . . . . 0.0 111.871 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.11 -69.56 0.86 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 127.348 2.404 . . . . 0.0 110.319 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.99 -40.32 76.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.457 -1.025 . . . . 0.0 112.381 -171.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 -16.36 52.52 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.509 -1.162 . . . . 0.0 113.304 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 85.9 m -76.01 -46.47 29.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.026 -2.212 . . . . 0.0 105.026 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -38.56 73.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.971 0.805 . . . . 0.0 109.102 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 t -65.38 -33.71 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.366 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.64 -54.44 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.133 1.373 . . . . 0.0 109.759 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -41.74 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 129.289 3.036 . . . . 0.0 109.364 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' CD2' ' HE2' ' A' ' 73' ' ' LYS . 1.5 tm? -64.16 -54.99 25.12 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 120.4 -1.437 . . . . 0.0 111.776 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -51.7 -41.78 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.238 -0.289 . . . . 0.0 110.288 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.09 -43.05 86.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.431 1.492 . . . . 0.0 111.89 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.58 -54.64 30.21 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.99 1.716 . . . . 0.0 111.12 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HE2' ' CD2' ' A' ' 69' ' ' LEU . 45.9 mmtt -64.68 -42.24 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.449 -177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -53.54 -46.57 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.608 1.163 . . . . 0.0 110.162 173.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -78.66 -8.65 58.89 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.37 63.23 4.45 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 125.813 1.673 . . . . 0.0 111.107 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -149.62 174.33 12.68 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.81 1.244 . . . . 0.0 110.021 171.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -96.79 170.74 8.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.318 1.047 . . . . 0.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.67 116.9 5.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.327 1.451 . . . . 0.0 108.39 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.9 mt -133.14 154.05 38.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.28 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.49 154.04 30.04 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.414 0.685 . . . . 0.0 110.151 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.83 164.79 29.29 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 125.241 1.416 . . . . 0.0 112.502 -171.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m 74.28 30.4 1.18 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.551 1.941 . . . . 0.0 114.855 163.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.594 HD22 ' H ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -53.53 105.6 0.14 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 128.116 2.566 . . . . 0.0 113.338 -171.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -70.28 158.96 34.94 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.855 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -46.84 -45.61 20.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.198 1.399 . . . . 0.0 111.091 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -68.24 -71.15 0.22 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.501 1.521 . . . . 0.0 110.342 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.1 mm -48.52 -54.73 4.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 C-N-CA 125.053 1.341 . . . . 0.0 108.824 -176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.467 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 8.7 t -39.07 -60.42 0.88 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.736 1.614 . . . . 0.0 108.922 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -54.8 -54.85 36.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.738 -1.125 . . . . 0.0 111.145 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.428 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 58.6 mt -52.31 -33.33 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.599 1.96 . . . . 0.0 109.884 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.09 -49.72 54.67 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 119.713 -1.867 . . . . 0.0 110.61 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -60.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.428 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 11.3 mt -52.84 -54.67 31.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.695 1.598 . . . . 0.0 109.917 -178.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.19 14.6 23.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.657 0.783 . . . . 0.0 110.943 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.0 m170 52.49 28.94 6.43 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.044 1.738 . . . . 0.0 113.288 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.9 mt -68.31 -21.32 64.77 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 120.661 -1.275 . . . . 0.0 110.984 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.04 -11.27 12.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.365 1.466 . . . . 0.0 114.429 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 12.52 10.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.077 1.751 . . . . 0.0 111.758 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.8 mt -106.07 -46.98 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.594 1.958 . . . . 0.0 106.838 168.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -108.23 15.26 24.27 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 126.991 2.116 . . . . 0.0 112.039 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 5.8 tttp 51.42 -168.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.277 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -163.16 159.6 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.319 -0.863 . . . . 0.0 109.072 157.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.433 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 25.2 p -140.73 126.03 18.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.239 0.472 . . . . 0.0 109.768 -170.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -62.1 -37.11 83.85 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 120.903 -1.123 . . . . 0.0 110.55 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.3 p -141.25 169.58 17.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.083 1.353 . . . . 0.0 108.591 -172.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.04 -24.0 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.5 -8.23 59.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -8.17 52.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.947 0.794 . . . . 0.0 111.21 167.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 123.963 0.905 . . . . 0.0 113.266 -171.336 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.0 t30 45.37 75.18 0.11 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.492 1.517 . . . . 0.0 112.037 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -145.7 -65.7 0.31 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.38 122.1 13.72 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.81 0.844 . . . . 0.0 110.263 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -142.56 159.05 43.0 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.502 1.921 . . . . 0.0 110.961 -170.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 mt -139.85 129.6 24.57 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.689 1.596 . . . . 0.0 108.245 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.72 84.54 2.29 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.124 0.97 . . . . 0.0 109.592 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.45 143.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 125.215 1.406 . . . . 0.0 108.512 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.41 139.16 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -129.62 47.31 2.51 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.839 0.856 . . . . 0.0 110.144 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -67.25 173.77 3.67 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.731 1.212 . . . . 0.0 111.139 168.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 40.22 -94.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.839 2.856 . . . . 0.0 112.124 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.38 41.94 0.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.372 1.869 . . . . 0.0 109.316 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -151.78 144.15 24.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 119.353 -2.092 . . . . 0.0 109.803 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.43 9.93 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.175 1.79 . . . . 0.0 109.339 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -112.34 118.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -169.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -124.38 111.89 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 C-N-CA 123.463 0.705 . . . . 0.0 110.372 -167.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.04 102.77 7.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 125.076 1.35 . . . . 0.0 108.341 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.31 143.46 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 170.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -130.85 130.56 43.76 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 127.276 2.23 . . . . 0.0 107.883 173.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.63 -177.11 16.72 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.413 1.483 . . . . 0.0 109.523 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -129.19 109.42 11.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 126.358 1.863 . . . . 0.0 106.699 -178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.94 134.98 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -173.02 -175.61 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -162.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.25 63.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.281 1.433 . . . . 0.0 112.847 172.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -8.32 59.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -134.61 -49.67 0.77 Allowed 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 115.616 -2.135 . . . . 0.0 111.403 -160.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -47.6 -51.49 21.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.611 2.005 . . . . 0.0 109.628 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -48.14 -30.85 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.962 2.905 . . . . 0.0 114.952 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -60.49 1.52 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.573 1.549 . . . . 0.0 109.746 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.272 16.9 tp -29.31 -42.7 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 129.838 3.255 . . . . 0.0 112.294 169.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmpt? -59.88 -47.6 85.11 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -33.3 75.48 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.782 0.833 . . . . 0.0 109.066 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -82.29 -45.1 15.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -167.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -40.77 98.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.952 0.901 . . . . 0.0 112.354 171.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.64 -50.12 71.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.8 -43.29 99.18 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 122.114 -0.366 . . . . 0.0 110.859 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -53.08 -50.35 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.537 1.135 . . . . 0.0 109.907 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.8 mt -60.1 -31.78 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.4 -0.809 . . . . 0.0 112.73 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.1 t -72.24 -28.18 62.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.309 0.959 . . . . 0.0 109.776 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.44 0.22 4.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -153.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -92.41 126.93 37.71 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.8 -5.3 50.33 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.001 -1.062 . . . . 0.0 112.488 172.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 128.87 34.13 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.79 -21.64 66.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.337 168.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 108.23 19.19 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.627 1.103 . . . . 0.0 108.857 -168.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.94 134.91 39.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 126.648 1.979 . . . . 0.0 106.237 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.18 97.83 4.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 127.476 2.311 . . . . 0.0 105.107 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 tp -79.75 102.93 9.32 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.409 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.65 100.08 12.54 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.633 1.173 . . . . 0.0 109.063 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.04 8.94 9.39 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.887 -1.054 . . . . 0.0 113.424 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -58.73 -3.66 0.34 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -162.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -101.77 -34.64 9.36 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.191 -1.568 . . . . 0.0 111.568 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.12 129.37 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -127.22 -30.99 2.6 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 117.613 -1.184 . . . . 0.0 112.147 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -77.1 -95.8 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 111.355 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.405 23.1 ttp 78.56 102.07 0.07 Allowed 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 127.125 2.17 . . . . 0.0 116.769 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -79.48 169.53 17.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.357 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.85 -26.86 68.52 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.466 1.03 . . . . 0.0 112.677 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.34 -20.32 67.15 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 118.669 -1.073 . . . . 0.0 113.424 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.16 -57.4 12.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.407 1.104 . . . . 0.0 109.232 173.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.84 -29.85 65.3 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-O 118.007 -1.44 . . . . 0.0 112.987 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.1 m -51.65 -54.25 29.97 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.538 1.669 . . . . 0.0 109.583 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.27 -33.72 76.48 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 119.598 1.09 . . . . 0.0 110.594 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -66.74 -37.15 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 122.148 -0.345 . . . . 0.0 110.152 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.02 -51.84 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.186 -0.946 . . . . 0.0 109.018 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.74 -40.6 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.06 -55.26 36.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 121.261 -0.899 . . . . 0.0 110.761 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -50.32 -38.0 39.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.065 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.04 -44.32 80.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.216 1.407 . . . . 0.0 111.049 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.82 47.23 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.171 1.388 . . . . 0.0 110.129 171.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -71.0 -38.22 72.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.309 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.24 -28.55 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.296 1.038 . . . . 0.0 111.854 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -99.1 -7.08 27.23 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.281 1.032 . . . . 0.0 112.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.85 62.52 6.14 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 126.816 2.151 . . . . 0.0 112.221 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -146.11 179.25 7.62 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.062 0.945 . . . . 0.0 112.358 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.3 164.8 13.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.064 1.412 . . . . 0.0 108.832 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -151.59 107.88 3.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.421 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.6 mt -123.55 150.57 27.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.78 167.77 11.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.533 0.733 . . . . 0.0 109.736 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t -162.12 162.4 28.53 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.295 1.038 . . . . 0.0 109.281 -159.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.53 57.77 6.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.855 2.462 . . . . 0.0 114.049 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.478 ' H ' HD13 ' A' ' 84' ' ' LEU . 3.3 mp -75.9 99.17 4.42 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 130.743 3.617 . . . . 0.0 112.557 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.21 154.94 25.94 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.743 170.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.43 -37.79 82.01 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.659 1.118 . . . . 0.0 112.572 -165.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -77.25 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.614 1.166 . . . . 0.0 110.518 166.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.1 mm -40.38 -52.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.163 0 C-N-CA 127.633 2.373 . . . . 0.0 110.114 -176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 t -44.42 -63.33 0.91 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.95 1.7 . . . . 0.0 110.142 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -37.5 70.23 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 118.885 0.766 . . . . 0.0 111.308 -172.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.1 mt -62.27 -38.08 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.414 1.485 . . . . 0.0 108.421 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.0 mt -67.97 -35.02 77.66 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 109.382 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -16.13 57.04 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 169.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.87 -69.15 0.23 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 122.231 2.287 . . . . 0.0 108.203 175.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -74.63 9.11 1.94 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.261 1.424 . . . . 0.0 111.121 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.4 m80 46.03 38.64 4.88 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.604 1.562 . . . . 0.0 111.544 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -73.81 -21.09 60.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.462 1.105 . . . . 0.0 109.51 175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.78 -6.26 1.68 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.82 1.648 . . . . 0.0 114.989 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.57 -0.87 8.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.435 1.494 . . . . 0.0 112.157 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -96.99 -45.64 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.791 1.637 . . . . 0.0 108.407 173.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.51 21.02 16.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.884 2.074 . . . . 0.0 110.904 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.495 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 1.4 ttpt 46.64 -157.69 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.606 1.162 . . . . 0.0 109.429 -166.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.495 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -175.6 157.41 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 C-N-CA 127.181 2.192 . . . . 0.0 107.867 160.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.5 p -139.49 132.55 29.57 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.95 -37.79 88.49 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 118.559 -1.256 . . . . 0.0 110.123 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -141.9 173.09 11.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.503 1.521 . . . . 0.0 109.724 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.0 p -63.25 -15.67 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.656 0.782 . . . . 0.0 111.812 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -22.36 59.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.411 1.084 . . . . 0.0 110.926 174.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -0.08 54.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.469 0.708 . . . . 0.0 112.768 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.376 0 CA-C-N 119.551 1.069 . . . . 0.0 112.076 -167.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -137.25 77.3 1.63 Allowed 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.865 1.266 . . . . 0.0 107.904 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.6 -45.83 20.72 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 174.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.8 149.86 24.55 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.621 1.568 . . . . 0.0 109.618 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -137.36 157.15 47.22 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 127.018 2.127 . . . . 0.0 108.658 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.48 149.33 39.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 125.889 1.676 . . . . 0.0 107.117 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.94 88.17 2.26 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 124.818 1.324 . . . . 0.0 107.909 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.08 138.58 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.618 1.567 . . . . 0.0 108.597 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.0 t -130.68 128.18 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 124.308 1.043 . . . . 0.0 108.265 169.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' CD ' ' HG1' ' A' ' 42' ' ' THR . 43.9 mt-10 -135.75 87.59 2.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 162.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -138.88 96.44 3.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 166.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 144.38 -106.49 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 1 C-N-CA 131.795 4.038 . . . . 0.0 104.666 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -155.48 25.45 0.4 Allowed 'General case' 0 C--O 1.223 -0.295 0 O-C-N 119.996 -1.69 . . . . 0.0 110.246 -165.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -150.92 158.58 44.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.563 1.545 . . . . 0.0 107.902 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.96 89.3 3.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 125.973 1.709 . . . . 0.0 109.138 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -80.74 148.98 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' CG2' ' CZ ' ' A' ' 38' ' ' PHE . 22.8 t -139.57 105.3 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.573 1.079 . . . . 0.0 111.307 168.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -73.44 79.3 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 127.607 2.363 . . . . 0.0 109.056 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 t -71.66 132.35 33.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -141.34 78.34 1.64 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.51 1.924 . . . . 0.0 106.155 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.95 131.67 1.81 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.39 153.55 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -131.05 92.82 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.369 0.986 . . . . 0.0 109.398 -164.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -120.66 -170.05 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.905 2.082 . . . . 0.0 108.267 167.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.46 2.34 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.529 1.532 . . . . 0.0 114.92 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.98 -18.42 59.31 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.998 1.272 . . . . 0.0 112.545 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -139.7 -37.46 0.49 Allowed 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.238 -1.363 . . . . 0.0 111.588 -152.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -48.66 -44.96 38.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 121.125 1.784 . . . . 0.0 109.065 168.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -49.02 63.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 127.814 2.446 . . . . 0.0 110.273 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.47 -59.58 2.72 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 126.119 1.768 . . . . 0.0 109.953 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -30.88 -46.45 0.08 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 128.497 2.719 . . . . 0.0 109.642 170.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -59.93 -53.56 56.43 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 118.688 -0.673 . . . . 0.0 112.447 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.54 -43.53 72.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.527 0.731 . . . . 0.0 110.277 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -73.6 -42.37 61.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -167.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.91 -39.99 87.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.465 1.506 . . . . 0.0 112.355 174.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -52.33 66.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.31 99.09 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.689 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.4 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 2.9 t80 -52.49 -58.18 7.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.179 1.392 . . . . 0.0 109.836 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -33.51 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 121.203 -0.936 . . . . 0.0 110.917 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -44.88 90.72 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.214 0.915 . . . . 0.0 110.364 174.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -77.75 -52.06 9.54 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.804 -0.56 . . . . 0.0 110.316 -172.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' HG1' ' CD ' ' A' ' 10' ' ' GLU . 14.8 t -48.91 129.24 17.03 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.757 2.023 . . . . 0.0 114.084 -157.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 m -71.88 -12.4 61.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.328 1.051 . . . . 0.0 113.585 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -102.61 138.54 39.38 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.756 1.623 . . . . 0.0 107.043 -165.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -63.23 -25.38 68.3 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.619 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 110.22 20.7 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.868 1.267 . . . . 0.0 108.319 -166.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.3 137.01 33.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -136.46 94.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 C-N-CA 125.386 1.474 . . . . 0.0 108.179 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.38 93.22 9.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.001 -166.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.74 75.14 2.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.139 2.175 . . . . 0.0 110.292 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.99 64.85 6.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t -101.55 -12.46 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.582 -174.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.3 m -122.24 -7.32 8.79 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -176.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.5 p -57.47 157.57 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 120.354 -1.467 . . . . 0.0 110.118 149.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -141.32 -41.09 0.38 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.922 1.289 . . . . 0.0 110.302 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -77.52 135.7 38.24 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.8 ttm -145.59 129.11 17.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 167.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -107.95 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.09 96.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.927 -0.483 . . . . 0.0 110.453 170.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.24 -41.17 78.3 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.36 1.457 . . . . 0.0 112.666 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.98 -44.23 73.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 118.178 0.989 . . . . 0.0 111.135 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.6 92.19 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.069 -1.406 . . . . 0.0 111.274 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -51.87 -52.67 47.96 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 119.593 1.696 . . . . 0.0 109.52 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.25 -34.31 72.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.052 1.751 . . . . 0.0 111.677 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -70.39 -30.62 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 120.981 -1.074 . . . . 0.0 112.116 174.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.67 -53.68 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.241 -1.537 . . . . 0.0 108.041 165.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.28 -38.97 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.883 0.873 . . . . 0.0 109.791 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.92 -50.5 73.52 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.829 -0.544 . . . . 0.0 111.447 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -53.81 -41.94 67.86 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.92 -41.27 97.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.213 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.01 -50.35 71.14 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 124.26 1.024 . . . . 0.0 111.106 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -36.09 69.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 117.379 -1.296 . . . . 0.0 111.5 -177.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.52 -57.55 7.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 120.128 1.331 . . . . 0.0 108.61 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -69.26 -10.48 58.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.646 0.778 . . . . 0.0 112.213 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.71 66.58 2.6 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 127.213 2.34 . . . . 0.0 111.953 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -146.59 179.32 7.64 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.98 1.39 . . . . 0.0 112.315 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.79 89.56 3.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.745 2.018 . . . . 0.0 108.385 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.25 113.85 17.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.572 1.549 . . . . 0.0 108.478 176.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 mt -128.16 146.42 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.62 -178.38 4.38 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.77 167.12 19.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.125 -0.984 . . . . 0.0 111.2 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.0 m 66.45 48.43 1.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.897 1.679 . . . . 0.0 112.994 160.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.438 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -62.54 112.63 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.307 1.843 . . . . 0.0 111.527 -172.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -66.54 155.68 37.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.051 163.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.8 -34.79 73.5 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.387 0.994 . . . . 0.0 112.094 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.132 1.773 . . . . 0.0 108.619 167.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.5 mm -46.13 -55.48 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 128.216 2.607 . . . . 0.0 108.254 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.516 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 4.7 t -34.58 -67.38 0.14 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.595 1.958 . . . . 0.0 109.588 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -49.85 -44.14 49.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.235 1.014 . . . . 0.0 112.491 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 15.6 mt -64.71 -37.51 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.906 2.082 . . . . 0.0 108.986 -174.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.72 -36.94 85.9 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.8 -1.187 . . . . 0.0 109.19 173.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HE3' ' O ' ' A' ' 89' ' ' SER . 12.8 mmtp -66.4 -34.28 77.6 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 22.1 mt -55.27 -63.61 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.767 1.627 . . . . 0.0 110.655 -173.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.26 17.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.412 1.885 . . . . 0.0 112.148 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 p80 45.9 29.92 0.8 Allowed 'General case' 0 C--N 1.343 0.301 0 C-N-CA 127.501 2.32 . . . . 0.0 113.224 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.28 -25.01 64.94 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 109.419 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -61.47 -16.22 45.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.915 2.086 . . . . 0.0 114.477 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -105.86 -3.52 21.8 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 168.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.6 mt -92.66 -67.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -79.51 4.58 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.414 1.086 . . . . 0.0 112.488 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.16 -169.5 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.492 0.717 . . . . 0.0 109.231 -161.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -160.86 154.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 164.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 p -130.45 140.76 50.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 170.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -23.84 58.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.267 170.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 p -140.72 170.93 14.85 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 124.275 0.984 . . . . 0.0 113.332 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.45 -31.03 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.543 0.737 . . . . 0.0 111.1 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.88 -26.78 67.05 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.2 1.0 . . . . 0.0 110.348 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -89.69 6.89 39.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.096 1.358 . . . . 0.0 112.55 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.9 1.28 . . . . 0.0 111.345 -174.472 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttp . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -151.14 166.24 31.44 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 165.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -135.8 157.73 46.12 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.828 0.74 . . . . 0.0 109.548 166.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.4 142.29 17.73 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.24 1.016 . . . . 0.0 111.49 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -145.33 161.09 40.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.045 1.738 . . . . 0.0 109.699 169.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 mt -137.63 145.08 42.29 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 127.133 2.173 . . . . 0.0 106.528 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.41 33.48 5.58 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -174.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -46.64 127.13 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.412 2.285 . . . . 0.0 113.042 -164.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t -136.87 153.68 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 127.592 2.357 . . . . 0.0 108.928 -178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -127.29 28.87 5.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 111.709 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.63 169.24 8.03 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.937 1.295 . . . . 0.0 111.225 173.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 60.05 10.99 2.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.957 2.103 . . . . 0.0 114.772 168.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 15.6 m-20 72.09 11.98 5.99 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.299 2.24 . . . . 0.0 113.682 -174.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HZ2' ' C ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -102.67 175.05 5.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 166.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 153.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.1 mt -129.26 140.87 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.912 -2.625 . . . . 0.0 103.912 -169.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -146.1 100.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.659 0.742 . . . . 0.0 109.468 -176.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -76.3 106.84 8.15 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.918 1.287 . . . . 0.0 107.86 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 t -86.18 140.17 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -128.42 109.48 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.685 1.194 . . . . 0.0 108.5 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.08 -177.83 32.09 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.522 1.534 . . . . 0.0 109.6 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.19 131.93 50.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.175 1.39 . . . . 0.0 108.908 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.53 101.74 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 122.999 1.381 . . . . 0.0 108.378 -163.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -131.11 176.34 8.35 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 126.925 2.09 . . . . 0.0 105.824 170.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.14 -16.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.03 -15.99 56.04 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.008 1.276 . . . . 0.0 112.143 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -137.96 -34.22 0.67 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.508 -168.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 p -55.0 -23.41 19.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 121.518 1.963 . . . . 0.0 110.427 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -54.18 -76.0 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.734 2.813 . . . . 0.0 110.998 163.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -81.07 -44.35 18.13 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.953 1.301 . . . . 0.0 113.555 -170.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -41.55 -38.11 1.26 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 125.208 1.403 . . . . 0.0 111.669 167.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.94 -52.27 45.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.185 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.24 -30.88 71.94 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.585 0.754 . . . . 0.0 111.31 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.94 -41.74 20.41 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -38.32 86.37 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.586 -0.696 . . . . 0.0 112.095 168.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -68.03 -19.69 64.92 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.48 -0.762 . . . . 0.0 111.657 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.45 -47.94 13.59 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 119.497 1.044 . . . . 0.0 110.619 166.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -46.48 -57.06 5.06 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.271 1.829 . . . . 0.0 109.197 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -24.58 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.887 0.875 . . . . 0.0 113.165 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -76.04 -56.26 4.83 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.272 0.942 . . . . 0.0 109.743 169.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -77.21 -15.5 59.46 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.458 1.123 . . . . 0.0 113.19 -164.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 t -56.14 -25.98 48.35 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.334 2.254 . . . . 0.0 116.681 -169.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 -54.7 0.39 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 121.628 2.013 . . . . 0.0 114.348 -171.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -78.46 140.84 38.6 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 127.182 2.193 . . . . 0.0 105.114 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -83.73 -15.0 50.26 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.678 -0.639 . . . . 0.0 109.879 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 120.02 34.63 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.59 133.13 62.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.84 123.15 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HA ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -115.53 85.75 2.34 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.636 0.731 . . . . 0.0 110.754 -161.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.97 83.98 5.79 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.22 -165.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.03 28.33 0.61 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.029 1.331 . . . . 0.0 110.997 -174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.422 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 19.3 p -68.09 -9.82 49.23 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -33.5 17.04 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.216 -0.928 . . . . 0.0 109.984 172.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 t -66.33 119.8 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.96 1.704 . . . . 0.0 109.014 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -113.97 -10.2 12.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.039 1.336 . . . . 0.0 112.996 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -138.24 141.47 39.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.273 1.829 . . . . 0.0 107.035 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 ttm -151.47 103.05 2.94 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.877 1.271 . . . . 0.0 109.279 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.07 -179.08 6.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.002 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.14 74.65 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 122.837 0.455 . . . . 0.0 112.038 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.91 93.34 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 123.88 0.752 . . . . 0.0 112.483 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.14 -44.06 85.24 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 119.156 -0.449 . . . . 0.0 110.635 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.07 91.59 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 118.735 -1.036 . . . . 0.0 112.16 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -55.47 -52.42 63.7 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.305 1.552 . . . . 0.0 110.158 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.31 -31.41 67.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.965 1.711 . . . . 0.0 111.598 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.38 -40.94 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 121.316 -0.865 . . . . 0.0 110.98 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.64 -51.02 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.282 0.946 . . . . 0.0 108.559 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.11 -43.1 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.762 0.425 . . . . 0.0 109.859 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.12 -52.1 66.63 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.399 0.545 . . . . 0.0 110.386 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -51.03 -42.27 60.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.65 76.21 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.052 0.541 . . . . 0.0 112.179 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.78 72.51 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 124.838 1.255 . . . . 0.0 110.425 169.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -69.09 -35.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.843 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.72 -47.01 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 119.273 0.942 . . . . 0.0 109.752 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.419 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 19.7 m-80 -82.58 2.83 31.25 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 113.178 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.28 49.42 78.74 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 126.869 2.176 . . . . 0.0 111.718 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 75' ' ' ASN . 1.4 ptpm? -139.08 -179.58 5.93 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.311 1.045 . . . . 0.0 110.37 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.92 165.48 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.746 1.218 . . . . 0.0 108.661 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -149.7 108.79 3.91 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 2.7 mt -114.9 150.2 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 172.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -84.35 -144.31 0.08 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 117.493 -1.241 . . . . 0.0 107.835 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.72 160.56 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.855 2.862 . . . . 0.0 110.486 155.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 52' ' ' SER . 72.5 m 65.17 64.41 0.62 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.898 1.679 . . . . 0.0 111.465 175.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.11 103.78 11.14 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.806 2.042 . . . . 0.0 110.556 -176.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -64.5 163.18 13.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.934 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -25.59 58.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.319 1.848 . . . . 0.0 113.156 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -77.73 -71.25 0.43 Allowed 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.94 -51.52 16.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 126.727 2.011 . . . . 0.0 108.683 -164.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -48.31 -63.06 1.18 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.557 1.071 . . . . 0.0 110.012 -175.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -42.11 57.77 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 123.519 0.727 . . . . 0.0 111.839 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.84 -48.4 86.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.08 -32.18 63.9 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 119.361 -2.087 . . . . 0.0 110.805 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -76.81 -32.58 57.71 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -18.18 61.81 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.547 1.939 . . . . 0.0 112.902 -174.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.85 3.36 12.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.908 2.883 . . . . 0.0 111.519 177.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 m170 57.54 24.61 10.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.284 1.833 . . . . 0.0 113.026 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.31 -23.46 67.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.843 -1.161 . . . . 0.0 110.575 176.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -14.11 16.13 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 175.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -109.22 -1.5 18.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.322 0.964 . . . . 0.0 112.241 172.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.58 -39.1 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.373 1.469 . . . . 0.0 107.518 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -110.61 10.8 22.93 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.038 1.735 . . . . 0.0 111.46 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.504 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.0 tttp 50.7 -166.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 109.653 -162.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.504 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -159.91 165.54 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.185 154.072 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 p -149.22 147.57 28.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.47 -26.35 55.28 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.929 173.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.6 p -145.89 162.25 38.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.07 -28.98 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 122.584 0.354 . . . . 0.0 110.82 169.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.95 -12.82 60.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.118 1.367 . . . . 0.0 113.156 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.36 -1.87 53.06 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.161 1.346 . . . . 0.0 112.311 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.413 ' C ' ' HZ2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.173 1.389 . . . . 0.0 110.002 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 ttp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -144.21 130.16 19.42 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.705 1.602 . . . . 0.0 109.004 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -81.88 -40.83 21.83 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.179 0.992 . . . . 0.0 110.989 171.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.14 162.22 19.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.907 0.483 . . . . 0.0 112.254 -153.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 171.88 16.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.976 0.807 . . . . 0.0 112.524 -177.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.2 mt -136.24 145.87 46.1 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.086 2.154 . . . . 0.0 108.465 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 79.02 1.87 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 mt -82.91 123.66 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 123.634 0.773 . . . . 0.0 109.255 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -130.07 145.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 125.963 1.705 . . . . 0.0 107.725 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.98 19.87 10.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.147 1.379 . . . . 0.0 112.774 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 25.29 -66.88 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 1 C-N-CA 132.88 4.472 . . . . 0.0 116.985 164.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -153.02 -62.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 157.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -103.85 -21.53 13.64 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -170.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -107.82 171.67 7.27 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.058 2.143 . . . . 0.0 108.314 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.98 50.25 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 108.165 155.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mt -142.56 121.5 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 -167.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.04 105.76 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 118.348 0.522 . . . . 0.0 109.692 -169.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.92 98.59 4.95 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.03 0.932 . . . . 0.0 108.699 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -62.79 139.44 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.46 131.75 50.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.68 1.992 . . . . 0.0 106.9 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -139.77 11.34 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -141.5 179.58 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.622 2.769 . . . . 0.0 106.086 171.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.4 mt -131.9 94.07 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -149.74 -168.39 3.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 120.856 -1.152 . . . . 0.0 108.676 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.66 -5.07 4.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.733 1.151 . . . . 0.0 113.694 -176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.95 -7.82 58.41 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.224 0.92 . . . . 0.0 112.502 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -150.19 -52.84 0.15 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.149 -153.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -39.45 -47.4 1.82 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.898 2.079 . . . . 0.0 109.874 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -42.63 79.06 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.934 2.094 . . . . 0.0 113.272 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -94.94 -53.7 3.74 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 127.101 2.16 . . . . 0.0 108.567 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp -41.02 -35.93 0.6 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.933 1.693 . . . . 0.0 111.929 163.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.95 -53.13 43.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 119.056 0.843 . . . . 0.0 111.666 173.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.56 -20.15 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.693 1.197 . . . . 0.0 111.736 -175.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.35 -46.85 5.37 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.231 1.412 . . . . 0.0 107.276 -170.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.57 -25.22 66.53 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.64 -59.34 4.99 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 167.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -41.17 92.83 Favored 'General case' 0 CA--C 1.521 -0.173 0 O-C-N 123.274 0.359 . . . . 0.0 111.241 -174.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -52.49 -47.27 66.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.732 1.213 . . . . 0.0 111.908 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.14 -36.83 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.372 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -46.47 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.894 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.9 p -69.94 -43.28 71.92 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 119.387 0.994 . . . . 0.0 110.356 -170.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 t -64.27 141.06 58.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.047 0.939 . . . . 0.0 111.391 -169.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -103.27 -0.8 29.82 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.366 -0.834 . . . . 0.0 112.94 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 14.4 mmmt -79.39 142.17 36.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 172.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -91.03 -10.93 40.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.016 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 123.75 48.08 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 127.012 2.125 . . . . 0.0 106.046 177.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -128.65 106.34 14.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 -167.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -104.13 108.57 24.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.2 tp -86.97 121.21 29.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -106.9 106.92 17.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -170.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.21 12.08 32.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.212 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 p -52.4 -26.06 11.55 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -168.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -48.58 11.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.075 1.35 . . . . 0.0 110.402 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.7 124.01 13.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 126.956 2.102 . . . . 0.0 109.206 -172.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -102.93 -24.81 13.64 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.868 0.867 . . . . 0.0 112.659 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -134.47 145.4 48.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.85 1.66 . . . . 0.0 109.833 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.75 115.37 12.83 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.853 1.261 . . . . 0.0 108.534 174.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.31 172.05 14.33 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.43 69.28 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.244 0.617 . . . . 0.0 112.244 171.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.5 -37.76 62.21 Favored Glycine 0 N--CA 1.448 -0.523 0 O-C-N 121.361 -0.837 . . . . 0.0 112.628 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.1 -53.92 52.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.53 -21.91 69.22 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-O 118.249 -1.306 . . . . 0.0 113.367 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.44 -44.17 75.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 119.849 1.824 . . . . 0.0 110.395 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.49 -33.87 71.88 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.66 2.482 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.56 -22.34 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 122.988 0.515 . . . . 0.0 110.856 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.44 -46.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 120.264 -1.522 . . . . 0.0 110.586 170.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.22 -36.31 73.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.55 -52.92 63.6 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.516 -0.74 . . . . 0.0 112.291 166.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -51.5 -41.53 61.03 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.645 0.657 . . . . 0.0 109.88 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -39.56 81.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.943 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.78 -44.49 73.75 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.546 1.138 . . . . 0.0 110.674 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.89 -39.75 83.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.823 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.8 -30.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 123.71 0.804 . . . . 0.0 112.422 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.432 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 33.4 m-80 -95.9 -6.82 38.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.889 0.875 . . . . 0.0 112.162 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.38 64.16 3.8 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 126.766 2.126 . . . . 0.0 111.447 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 7.9 ptpt -146.57 169.5 18.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.663 0.785 . . . . 0.0 111.452 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -80.48 170.66 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.694 1.198 . . . . 0.0 108.657 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -157.07 111.62 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.97 155.71 33.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 125.654 1.582 . . . . 0.0 108.731 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.0 169.49 12.07 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.651 0.781 . . . . 0.0 109.447 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 t -164.8 162.95 21.31 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -159.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m 49.95 65.11 1.52 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 123.46 1.6 . . . . 0.0 112.853 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.83 95.85 4.16 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.759 1.624 . . . . 0.0 112.085 -170.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.38 83.29 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.315 1.446 . . . . 0.0 109.61 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 27.02 -77.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.995 3.718 . . . . 0.0 115.528 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.49 -69.09 0.14 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.037 1.335 . . . . 0.0 110.082 166.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.409 ' HA ' HD11 ' A' ' 91' ' ' ILE . 1.7 mp -49.06 -52.42 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -43.57 -65.54 0.48 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.483 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 29.8 ptt85 -61.74 -40.76 96.26 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 120.987 -1.071 . . . . 0.0 112.435 -166.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 88' ' ' ILE . 25.1 mt -52.19 -39.54 27.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 126.971 2.108 . . . . 0.0 109.915 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -69.37 -39.62 77.94 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 120.498 -1.376 . . . . 0.0 109.558 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -75.76 -14.85 60.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.93 -71.2 0.16 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 120.587 1.539 . . . . 0.0 108.163 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.39 11.24 4.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.916 0.886 . . . . 0.0 111.061 -176.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m80 61.45 25.54 15.46 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.801 1.64 . . . . 0.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.6 -21.56 62.8 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.754 -1.216 . . . . 0.0 112.435 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.07 -7.0 2.22 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 119.58 1.082 . . . . 0.0 111.856 168.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -107.59 -0.06 22.26 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 117.756 -3.09 . . . . 0.0 113.229 166.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.3 mt -105.48 -33.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 126.365 1.866 . . . . 0.0 109.027 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -122.58 7.49 9.49 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 127.359 2.264 . . . . 0.0 112.684 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.553 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.2 ttpp 48.33 -159.44 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -163.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.553 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -174.76 156.8 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 126.908 2.083 . . . . 0.0 107.49 165.633 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -137.5 142.14 41.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -41.06 81.0 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 117.579 -1.648 . . . . 0.0 108.552 166.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.9 p -139.62 163.6 32.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.618 0.767 . . . . 0.0 111.715 -172.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.2 p -54.89 -28.92 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.548 1.939 . . . . 0.0 111.714 173.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.99 -9.56 58.55 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.222 1.409 . . . . 0.0 112.052 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.81 3.75 37.07 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.781 1.232 . . . . 0.0 112.94 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.746 0.819 . . . . 0.0 110.656 -179.515 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mtt . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -151.97 168.45 25.15 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 126.788 2.035 . . . . 0.0 107.668 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -118.92 -53.58 2.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.592 1.557 . . . . 0.0 108.864 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.78 139.89 58.81 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.149 1.78 . . . . 0.0 110.47 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.67 164.62 27.8 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 126.562 1.945 . . . . 0.0 110.338 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -150.52 95.61 2.26 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.303 1.841 . . . . 0.0 108.026 -164.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.44 73.44 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.56 -165.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 mt -78.4 124.44 36.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.023 1.329 . . . . 0.0 108.981 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.9 t -134.43 147.9 29.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 127.307 2.243 . . . . 0.0 106.678 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -129.36 -91.61 0.46 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.3 0.64 . . . . 0.0 110.531 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 25.79 66.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.619 3.168 . . . . 0.0 113.232 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 179.21 -106.75 0.0 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 103.733 -2.692 . . . . 0.0 103.733 157.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -150.42 48.13 0.89 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.55 1.54 . . . . 0.0 110.7 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HZ1' ' C ' ' A' ' 110' ' ' ALA . 4.7 ttmt -154.78 127.96 8.34 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 126.784 2.034 . . . . 0.0 108.067 166.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.07 125.67 35.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.2 mt -125.54 134.16 67.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 -174.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.09 109.31 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -79.84 96.33 6.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 t -66.33 124.09 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -138.56 112.84 8.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.041 1.336 . . . . 0.0 107.982 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.62 148.58 10.53 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.47 169.24 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.825 1.25 . . . . 0.0 110.759 -163.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.4 mt -127.67 13.83 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.89 -0.506 . . . . 0.0 110.537 -160.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.25 -167.7 1.11 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.937 -2.352 . . . . 0.0 110.178 -169.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -6.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 119.879 -1.763 . . . . 0.0 114.373 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -86.99 -12.12 48.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 120.412 1.46 . . . . 0.0 112.112 170.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -142.26 -36.38 0.41 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.419 -167.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -48.72 -41.42 31.91 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 122.934 2.606 . . . . 0.0 109.898 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.87 -41.54 3.33 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.715 2.406 . . . . 0.0 113.597 170.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -108.41 -43.85 4.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 120.068 1.304 . . . . 0.0 112.814 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.19 -39.94 2.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 109.608 168.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -61.63 -54.22 45.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.8 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -65.15 -31.13 72.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.762 0.71 . . . . 0.0 111.564 -174.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -81.3 -39.58 24.97 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.94 -31.25 69.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 112.781 171.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -52.62 64.51 Favored 'General case' 0 CA--C 1.518 -0.264 0 O-C-N 121.088 -1.008 . . . . 0.0 108.752 171.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.68 -37.6 84.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.371 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -52.69 -52.27 56.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.987 0.515 . . . . 0.0 109.923 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.76 -33.74 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.348 0.659 . . . . 0.0 111.709 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -77.2 -19.97 55.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 113.864 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.27 17.19 17.73 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.914 1.285 . . . . 0.0 109.973 -171.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -123.94 104.03 8.68 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.764 -1.21 . . . . 0.0 110.082 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -73.14 14.37 0.31 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.56 -1.337 . . . . 0.0 113.581 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -102.26 134.71 45.11 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 119.893 -1.755 . . . . 0.0 107.572 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.41 -6.91 16.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.268 171.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.61 118.1 17.82 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.099 1.76 . . . . 0.0 107.976 -165.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.76 131.76 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.81 98.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 128.0 2.52 . . . . 0.0 105.866 -172.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 tp -88.25 100.84 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.34 -173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.21 117.6 31.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.782 0.833 . . . . 0.0 111.341 -165.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.9 21.04 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.97 -0.456 . . . . 0.0 111.585 -168.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -49.83 -37.76 32.0 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.462 0.705 . . . . 0.0 111.073 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -76.25 -45.37 33.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.79 -178.75 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.153 0.502 . . . . 0.0 110.183 -168.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -155.58 -34.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.616 -1.303 . . . . 0.0 111.276 165.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.13 126.21 31.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -170.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.4 ttm -147.99 152.85 38.17 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 165.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -134.57 175.75 9.25 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 129.929 3.291 . . . . 0.0 107.327 -173.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.27 82.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.938 0.79 . . . . 0.0 111.55 170.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.77 -37.52 39.21 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 125.357 1.456 . . . . 0.0 113.066 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.9 mt -64.4 -52.35 58.64 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 117.845 0.823 . . . . 0.0 110.601 -170.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.85 -21.21 60.75 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-O 117.911 -1.494 . . . . 0.0 111.915 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -65.88 -49.19 68.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 119.132 1.466 . . . . 0.0 110.082 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.02 -35.53 73.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 121.483 1.947 . . . . 0.0 111.283 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -63.57 -35.17 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.525 0.73 . . . . 0.0 110.559 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.69 -48.98 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 120.505 -1.372 . . . . 0.0 109.662 173.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.1 -36.06 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.41 -53.5 56.78 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.56 0.618 . . . . 0.0 110.578 170.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -51.69 -44.62 63.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 110.306 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.64 71.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.681 0.792 . . . . 0.0 110.725 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.72 -47.08 83.42 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.732 0.813 . . . . 0.0 110.607 171.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -77.06 -22.73 52.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.252 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 164.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -72.89 -4.5 32.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.816 0.846 . . . . 0.0 112.917 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.07 53.29 5.79 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 126.419 1.961 . . . . 0.0 113.267 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.73 173.49 11.43 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.963 -1.316 . . . . 0.0 112.242 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.12 169.1 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.566 1.547 . . . . 0.0 109.477 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -161.87 106.08 1.23 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -170.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 mt -135.54 152.71 31.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 124.7 1.2 . . . . 0.0 109.375 -169.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.47 167.13 10.55 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.664 0.745 . . . . 0.0 109.489 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 m -156.15 148.96 24.02 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.058 1.343 . . . . 0.0 109.947 -166.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.7 m 54.67 62.95 2.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.518 2.327 . . . . 0.0 114.252 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -73.85 99.14 3.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.094 2.958 . . . . 0.0 111.229 178.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -55.4 152.06 9.21 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.728 165.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -47.61 -53.79 13.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.752 1.615 . . . . 0.0 111.476 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -71.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.403 1.881 . . . . 0.0 110.553 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -48.84 -52.03 10.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 C-N-CA 125.609 1.564 . . . . 0.0 108.885 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.438 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 11.6 t -46.4 -56.92 5.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.4 1.48 . . . . 0.0 108.789 -171.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -41.38 85.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 120.275 1.398 . . . . 0.0 111.061 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.51 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 65.7 mt -67.47 -7.04 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 O-C-N 125.383 1.677 . . . . 0.0 107.286 -171.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.67 -45.47 8.04 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 118.423 -2.673 . . . . 0.0 110.242 164.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -67.5 -24.3 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.819 -1.176 . . . . 0.0 112.273 -175.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -60.98 -15.54 32.77 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 129.132 2.973 . . . . 0.0 114.982 -173.503 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 21.29 2.53 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.843 1.257 . . . . 0.0 111.39 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m170 52.63 31.03 9.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.002 0.921 . . . . 0.0 112.814 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.18 -32.13 72.72 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.72 -6.72 8.52 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.813 2.045 . . . . 0.0 115.204 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -119.15 -2.19 10.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.533 1.06 . . . . 0.0 112.528 167.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.9 mt -84.44 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 165.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -76.15 5.28 7.04 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.937 2.095 . . . . 0.0 112.55 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.99 -171.46 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.529 0.68 . . . . 0.0 110.258 -161.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -160.88 152.61 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 O-C-N 121.257 -0.902 . . . . 0.0 108.756 160.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -131.04 155.21 47.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.11 -48.18 58.71 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.344 -1.472 . . . . 0.0 108.826 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 p -143.24 164.41 30.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.36 1.064 . . . . 0.0 109.353 -166.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.23 -20.89 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.162 -171.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -13.87 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.504 0.593 . . . . 0.0 110.859 170.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.06 0.31 34.76 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.508 -0.745 . . . . 0.0 111.313 172.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.538 ' C ' ' HZ1' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 124.896 1.278 . . . . 0.0 109.615 170.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.59 -62.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 130.008 3.323 . . . . 0.0 112.27 -166.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m120 76.11 -64.12 0.36 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.828 2.051 . . . . 0.0 109.86 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp -66.56 139.63 57.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.069 0.948 . . . . 0.0 108.519 162.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.37 156.23 48.02 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.595 1.958 . . . . 0.0 108.172 170.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.4 mt -137.65 135.2 36.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -132.11 84.55 2.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.34 0.591 . . . . 0.0 110.614 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -76.04 143.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.721 1.609 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -145.38 137.05 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 128.197 2.599 . . . . 0.0 107.957 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -142.51 57.85 1.44 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.597 1.09 . . . . 0.0 113.07 -167.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -86.56 -75.88 0.37 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.657 1.117 . . . . 0.0 111.396 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' LYS . 3.9 p-10 -74.2 46.83 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.108 2.963 . . . . 0.0 112.626 -168.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 59.11 -12.88 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 129.338 3.055 . . . . 0.0 115.41 -178.207 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' ASP . 14.7 ttmt -79.57 135.4 36.59 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 131.072 3.749 . . . . 0.0 106.127 166.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.97 33.79 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 151.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.53 128.96 70.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 p -137.4 119.73 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 119.441 1.019 . . . . 0.0 110.326 -174.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -75.56 105.5 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.898 0.879 . . . . 0.0 109.432 176.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.1 122.13 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -129.4 119.83 24.5 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.187 2.595 . . . . 0.0 106.05 -169.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.11 -153.33 24.78 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -146.24 16.34 1.34 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt 25.75 61.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 131.687 3.995 . . . . 0.0 113.741 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.85 -176.65 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 120.539 -1.351 . . . . 0.0 109.794 172.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -12.1 0.16 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.563 1.545 . . . . 0.0 114.238 158.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.9 0.29 57.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.532 1.933 . . . . 0.0 112.265 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -153.16 -40.36 0.1 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.774 -167.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -20.16 64.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.035 1.743 . . . . 0.0 112.746 -171.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -27.48 66.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.638 1.975 . . . . 0.0 110.956 169.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.74 -48.51 4.27 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 129.528 3.131 . . . . 0.0 109.995 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -36.69 -46.35 0.59 Allowed 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.07 2.148 . . . . 0.0 109.506 169.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.18 -50.23 74.5 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.592 0.558 . . . . 0.0 111.573 -175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.23 -35.89 81.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.039 0.536 . . . . 0.0 110.358 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.93 -38.27 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -168.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.07 -43.24 87.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.314 1.045 . . . . 0.0 111.034 167.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -51.04 65.17 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.21 -49.54 63.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.834 1.653 . . . . 0.0 110.214 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -58.34 -55.07 39.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.145 1.378 . . . . 0.0 110.316 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -31.22 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.216 1.406 . . . . 0.0 110.89 176.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -64.21 -57.89 8.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.204 1.001 . . . . 0.0 109.854 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -93.6 -12.35 29.67 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -158.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -58.25 -33.16 69.08 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.9 -12.42 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -156.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 20.5 mmmt -79.32 135.42 36.73 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 121.569 1.986 . . . . 0.0 107.532 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.3 8.22 19.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.495 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 105.81 4.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -171.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.58 123.68 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 N-CA-C 103.243 -2.873 . . . . 0.0 103.243 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.11 110.01 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 tp -103.66 96.71 6.9 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.19 -1.368 . . . . 0.0 107.669 -169.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -79.83 99.46 7.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.638 1.975 . . . . 0.0 107.012 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 17.8 3.02 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 119.872 -1.767 . . . . 0.0 111.711 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -50.13 -36.96 31.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.409 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -89.79 -29.47 18.64 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -169.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.38 -177.54 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 119.289 0.95 . . . . 0.0 108.788 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -147.42 -30.97 0.32 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.311 -2.118 . . . . 0.0 113.726 163.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -119.8 167.99 11.54 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.381 1.072 . . . . 0.0 108.343 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.2 ttm -169.25 125.67 0.91 Allowed 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.647 1.979 . . . . 0.0 107.788 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.77 172.31 13.02 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.985 0.914 . . . . 0.0 110.722 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.89 77.91 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.561 -0.712 . . . . 0.0 110.251 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.73 -27.48 64.11 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.352 -1.249 . . . . 0.0 115.433 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.33 -59.9 2.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.108 1.954 . . . . 0.0 109.339 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.72 -19.94 75.39 Favored Glycine 0 N--CA 1.437 -1.253 0 O-C-N 123.785 0.678 . . . . 0.0 112.161 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.1 m -52.06 -53.6 40.19 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.598 1.199 . . . . 0.0 109.298 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.21 -30.51 69.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.514 1.506 . . . . 0.0 111.252 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.72 -40.22 85.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 121.535 -0.728 . . . . 0.0 110.721 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.24 -50.26 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 120.759 -1.213 . . . . 0.0 109.854 170.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -57.15 -43.8 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -174.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.86 -54.79 43.18 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.881 0.764 . . . . 0.0 110.479 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -52.39 -38.35 58.7 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.845 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -43.89 91.3 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.193 0.997 . . . . 0.0 112.896 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.1 -52.19 27.3 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.261 1.424 . . . . 0.0 109.02 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -67.99 -41.73 81.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.192 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.0 -43.52 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.602 1.561 . . . . 0.0 111.085 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -84.19 -6.92 59.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.125 0.97 . . . . 0.0 112.283 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.15 49.51 6.29 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 118.335 -1.258 . . . . 0.0 113.995 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.04 167.13 23.41 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.976 1.888 . . . . 0.0 113.399 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.17 170.92 15.82 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.4 1.08 . . . . 0.0 109.933 169.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -151.42 136.1 17.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.598 1.559 . . . . 0.0 107.895 174.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.1 mt -156.06 145.96 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 128.121 2.569 . . . . 0.0 104.368 -169.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.36 172.03 8.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.105 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -161.97 154.8 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.548 1.539 . . . . 0.0 110.758 -158.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m 65.37 49.63 1.86 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.117 1.767 . . . . 0.0 113.725 167.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -71.89 110.0 6.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.705 2.402 . . . . 0.0 111.253 -174.02 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -70.22 156.54 39.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.073 -1.422 . . . . 0.0 110.566 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.21 -31.93 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 120.151 1.342 . . . . 0.0 114.112 -170.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -71.0 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 120.153 1.342 . . . . 0.0 108.303 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.4 mm -45.24 -50.4 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 128.391 2.676 . . . . 0.0 109.887 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.7 t -48.43 -55.25 11.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.026 1.33 . . . . 0.0 108.845 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.38 -40.74 95.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.601 -1.312 . . . . 0.0 110.899 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.426 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 2.7 mt -55.22 -44.66 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.304 1.042 . . . . 0.0 109.626 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 mt -61.98 -39.5 92.41 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.103 -0.998 . . . . 0.0 109.923 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -26.48 62.35 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 9.0 mt -56.07 -68.52 0.2 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.115 1.766 . . . . 0.0 108.251 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.74 12.72 0.98 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.722 1.609 . . . . 0.0 112.643 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.424 ' HB3' ' HE3' ' A' ' 99' ' ' LYS . 82.8 m-70 46.71 27.53 0.68 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 126.416 1.887 . . . . 0.0 113.218 -170.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.3 -27.15 68.27 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.148 -0.97 . . . . 0.0 109.228 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.73 -16.34 38.92 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.888 1.222 . . . . 0.0 110.051 165.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.7 mt -68.83 -34.13 62.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.312 1.445 . . . . 0.0 110.029 -167.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 126.512 1.925 . . . . 0.0 111.312 178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 3.5 tttt 49.6 -167.19 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -156.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.463 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -166.07 160.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 158.438 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.2 p -136.15 154.12 51.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.918 1.236 . . . . 0.0 111.244 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.34 -49.96 56.65 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -134.1 165.67 24.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 122.147 0.975 . . . . 0.0 112.305 -169.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.92 -34.1 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.255 1.422 . . . . 0.0 109.936 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -71.7 -14.62 62.08 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.217 1.007 . . . . 0.0 112.343 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.24 -12.34 52.74 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.783 1.174 . . . . 0.0 112.612 170.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -172.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 120.497 0.189 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 26.64 63.5 0.08 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 129.795 3.238 . . . . 0.0 113.407 -172.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -99.84 -53.17 3.24 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 123.606 0.762 . . . . 0.0 108.981 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.66 144.37 55.54 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.888 0.875 . . . . 0.0 109.854 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.99 166.56 22.75 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.926 1.29 . . . . 0.0 110.364 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -142.82 105.33 4.47 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.204 1.401 . . . . 0.0 107.781 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.46 86.26 3.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.3 mt -84.0 138.71 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.82 120.05 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 119.563 1.074 . . . . 0.0 108.71 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.598 ' HB3' ' HZ2' ' A' ' 44' ' ' LYS . 52.9 mt-10 -82.66 87.83 6.72 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 166.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.92 -175.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.607 2.363 . . . . 0.0 109.921 167.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -36.7 -50.58 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.717 2.007 . . . . 0.0 113.523 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -140.0 -2.19 1.52 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.444 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -114.01 156.98 23.1 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.655 2.382 . . . . 0.0 109.22 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.16 110.02 21.99 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 129.043 2.937 . . . . 0.0 108.679 165.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -97.02 147.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.559 1.544 . . . . 0.0 107.613 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.11 101.66 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 119.126 0.876 . . . . 0.0 110.319 174.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.31 99.49 6.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.01 141.18 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.59 106.69 9.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.18 174.31 13.46 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.29 -173.2 2.6 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.729 1.611 . . . . 0.0 108.976 172.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mt -138.07 101.11 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 120.495 -1.378 . . . . 0.0 109.802 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -133.46 -174.22 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 127.423 2.289 . . . . 0.0 107.659 169.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.27 3.36 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.121 -1.612 . . . . 0.0 115.23 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -83.66 -21.44 32.44 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.886 1.221 . . . . 0.0 111.298 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -125.36 -48.58 1.7 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.04 -164.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.3 p -50.73 -40.27 54.01 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.886 1.274 . . . . 0.0 109.93 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.6 m -48.34 -30.8 5.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.819 2.848 . . . . 0.0 113.381 171.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.5 -49.62 2.82 Favored 'General case' 0 C--O 1.226 -0.164 0 C-N-CA 125.993 1.717 . . . . 0.0 109.694 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tt -45.8 -33.87 3.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.833 1.253 . . . . 0.0 111.017 167.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -65.61 -60.56 2.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.626 1.103 . . . . 0.0 113.085 173.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -64.92 -21.86 66.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.372 0.533 . . . . 0.0 111.029 -169.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -86.42 -41.59 14.32 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.199 1.0 . . . . 0.0 108.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -42.27 97.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.303 0.956 . . . . 0.0 112.144 171.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -65.72 -34.4 78.1 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.389 -0.82 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.49 -47.85 68.83 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.71 172.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -45.36 -50.91 11.83 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 126.558 1.943 . . . . 0.0 109.388 177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mm -54.04 -48.28 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 112.149 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 t -67.93 -36.25 79.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.796 0.838 . . . . 0.0 111.06 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -97.06 2.21 51.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.18 0.992 . . . . 0.0 111.571 -166.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -114.2 124.96 53.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.72 1.208 . . . . 0.0 108.977 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.7 m -92.06 5.98 48.2 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.859 -1.151 . . . . 0.0 113.491 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.598 ' HZ2' ' HB3' ' A' ' 10' ' ' GLU . 6.0 mmmm -78.35 127.36 32.11 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.737 -2.32 . . . . 0.0 104.737 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -68.77 -10.53 57.12 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.662 169.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 117.0 32.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.748 1.158 . . . . 0.0 108.895 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.401 HD11 ' HE3' ' A' ' 77' ' ' LYS . 50.2 mm -115.74 117.6 56.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 128.241 2.616 . . . . 0.0 106.7 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -121.8 101.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.83 120.34 23.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.07 119.9 32.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.22 31.88 4.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.002 0.921 . . . . 0.0 109.54 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 t -64.73 -13.41 54.62 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.327 1.451 . . . . 0.0 111.941 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 t -106.5 -28.0 10.57 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.795 -1.19 . . . . 0.0 111.607 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 t -73.18 122.01 25.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -114.77 -34.31 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.387 0.675 . . . . 0.0 111.968 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -108.98 140.77 42.03 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.205 1.802 . . . . 0.0 108.669 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.2 ttm -149.72 107.64 3.71 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.665 1.186 . . . . 0.0 109.181 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.95 176.72 9.49 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.823 0.702 . . . . 0.0 111.275 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.39 64.09 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.495 -0.753 . . . . 0.0 111.408 164.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.46 11.44 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 126.971 2.224 . . . . 0.0 113.926 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.3 -53.03 55.34 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.415 1.086 . . . . 0.0 109.638 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.25 -32.35 60.22 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-O 119.007 -0.885 . . . . 0.0 112.075 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.7 m -52.24 -53.94 37.4 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 118.936 1.368 . . . . 0.0 110.61 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.13 -30.21 70.87 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 110.51 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.21 -36.53 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.391 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -54.28 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.107 1.363 . . . . 0.0 107.924 171.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mm -59.35 -38.17 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -173.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.22 -55.48 33.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.517 -0.739 . . . . 0.0 110.497 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -54.07 -38.68 65.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.139 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -31.83 68.71 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.462 0.574 . . . . 0.0 111.468 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.44 69.1 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.272 1.029 . . . . 0.0 110.554 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.174 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.04 -57.05 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 119.438 1.017 . . . . 0.0 109.016 167.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.73 0.28 21.07 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.3 50.51 66.87 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 126.517 2.008 . . . . 0.0 111.648 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HE3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.78 167.18 16.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.151 0.98 . . . . 0.0 110.133 175.584 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.67 169.54 17.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.768 170.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.58 118.08 5.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.392 1.477 . . . . 0.0 107.462 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 56.2 mt -132.74 158.03 43.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 124.418 1.074 . . . . 0.0 109.426 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.32 171.83 8.04 Favored 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 123.335 0.654 . . . . 0.0 110.255 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.51 161.77 30.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.891 1.276 . . . . 0.0 109.475 -170.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 m 58.84 51.26 7.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.428 1.891 . . . . 0.0 112.881 174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -73.72 114.66 12.24 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 131.017 3.727 . . . . 0.0 110.494 -176.155 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -74.51 159.9 31.63 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.779 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -56.19 -31.02 63.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.196 0.998 . . . . 0.0 111.857 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -74.37 0.13 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.078 0.951 . . . . 0.0 110.403 165.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mm -52.34 -55.07 11.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 125.239 1.416 . . . . 0.0 108.229 -166.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -40.87 -54.72 2.64 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.988 1.715 . . . . 0.0 109.356 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -61.73 -47.0 87.2 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.854 -1.154 . . . . 0.0 111.866 178.337 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.62 -31.74 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.555 1.542 . . . . 0.0 110.42 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.59 -49.46 53.87 Favored 'General case' 0 C--O 1.232 0.143 0 O-C-N 120.605 -1.309 . . . . 0.0 108.326 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 3.0 mppt? -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mp -49.98 -69.9 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.861 1.665 . . . . 0.0 109.818 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -77.64 16.44 0.66 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.92 0.888 . . . . 0.0 110.27 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.47 35.63 18.16 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 127.358 2.263 . . . . 0.0 111.752 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.3 mt -73.38 -22.45 60.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.234 1.014 . . . . 0.0 110.578 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -69.95 -8.94 53.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 110.82 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -101.21 1.1 38.64 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.944 -1.723 . . . . 0.0 112.87 166.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.9 mt -106.75 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -92.92 12.21 24.62 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.782 1.233 . . . . 0.0 111.697 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.53 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 7.0 tttp 46.93 -153.7 0.06 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.16 0.984 . . . . 0.0 108.929 -169.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.53 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -171.55 163.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 127.553 2.341 . . . . 0.0 109.782 163.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.0 p -140.59 148.72 41.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.62 1.1 . . . . 0.0 109.916 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.6 -22.39 50.93 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.529 -0.732 . . . . 0.0 112.398 170.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.4 p -148.68 167.47 25.43 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.151 0.98 . . . . 0.0 110.606 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.67 -25.42 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 121.621 -0.674 . . . . 0.0 110.091 168.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.1 -8.62 55.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.792 1.237 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.02 -3.66 34.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.074 0.95 . . . . 0.0 112.378 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.575 -1.202 . . . . 0.0 112.945 -157.759 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -138.16 150.91 47.23 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.03 -59.73 1.79 Allowed 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 119.322 -0.371 . . . . 0.0 110.048 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.55 137.79 50.42 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 123.381 0.425 . . . . 0.0 110.055 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -124.72 162.51 24.06 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 128.633 2.773 . . . . 0.0 109.672 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -149.46 100.2 2.98 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.423 1.489 . . . . 0.0 107.333 -171.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -83.35 72.76 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.85 117.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.4 t -128.97 135.62 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 126.543 1.937 . . . . 0.0 107.806 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' CD ' ' HG1' ' A' ' 42' ' ' THR . 62.8 mt-10 -145.11 96.67 2.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.201 1.0 . . . . 0.0 109.789 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -131.55 -96.44 0.34 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.874 162.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -49.03 78.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 130.199 3.4 . . . . 0.0 113.549 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.256 1.1 m-20 24.68 44.13 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 130.227 3.411 . . . . 0.0 115.771 -164.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -155.56 158.44 38.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.288 -1.507 . . . . 0.0 109.073 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.88 125.71 51.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 162.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -129.86 123.07 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.09 106.92 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -171.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 71.8 mtt180 -78.7 98.47 6.24 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.465 0.65 . . . . 0.0 111.139 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.54 127.28 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.967 1.707 . . . . 0.0 108.382 168.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -139.08 114.87 10.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.801 1.64 . . . . 0.0 107.288 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 143.64 169.66 12.84 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -79.22 158.95 27.52 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 164.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.8 mt -132.55 92.72 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.121 0.969 . . . . 0.0 108.429 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -125.16 -170.12 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 128.019 2.528 . . . . 0.0 108.053 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.89 -7.26 0.29 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 170.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.27 10.58 23.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.569 1.947 . . . . 0.0 111.248 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -152.89 -38.26 0.1 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 117.771 -1.109 . . . . 0.0 111.684 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 p -55.69 -37.79 68.81 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 119.922 1.237 . . . . 0.0 110.424 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.76 -40.16 54.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.115 1.766 . . . . 0.0 110.795 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.7 -51.27 5.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.179 1.392 . . . . 0.0 111.552 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.3 -35.43 7.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.03 1.332 . . . . 0.0 109.526 171.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -62.42 -59.87 4.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.754 0.707 . . . . 0.0 111.228 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.7 -22.12 60.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.15 -166.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.47 -36.65 29.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -73.27 -32.18 64.52 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.217 0.607 . . . . 0.0 111.972 172.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -60.38 -52.28 65.93 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -43.98 80.68 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.727 0.694 . . . . 0.0 111.095 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -52.49 -55.55 21.26 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.507 1.523 . . . . 0.0 111.393 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.03 -24.76 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.218 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -65.74 -40.58 92.29 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.147 0.979 . . . . 0.0 111.001 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -91.4 -95.6 0.13 Allowed 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.491 ' HG1' ' CD ' ' A' ' 10' ' ' GLU 0.282 9.0 t 40.16 -164.61 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.53 2.732 . . . . 0.0 112.711 -174.492 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.46 11.35 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.73 1.612 . . . . 0.0 111.455 168.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -119.88 144.96 47.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.38 1.872 . . . . 0.0 106.934 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.47 -10.5 48.87 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.2 112.49 24.5 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -174.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -107.44 123.72 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -174.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -112.51 96.87 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 tp -79.32 104.04 9.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 3.4 t0 -91.76 113.04 25.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -171.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -109.67 37.36 2.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.304 0.956 . . . . 0.0 110.796 177.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.464 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 1.9 t -64.49 -17.08 63.53 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -119.42 -15.22 9.1 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -170.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 11.9 p -70.77 168.68 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 120.293 1.406 . . . . 0.0 109.754 160.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.7 m -147.63 -34.78 0.24 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.997 2.119 . . . . 0.0 109.942 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -90.65 125.82 35.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.093 1.357 . . . . 0.0 108.74 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.4 ttp -137.95 134.74 35.29 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 162.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.87 171.89 7.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.846 0.716 . . . . 0.0 111.88 168.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.06 75.12 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 120.695 1.589 . . . . 0.0 112.206 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.95 -29.13 74.4 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 125.311 1.434 . . . . 0.0 112.344 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 tp -76.05 -55.53 5.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 117.659 0.729 . . . . 0.0 110.518 -173.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.83 -27.0 55.54 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 118.551 -1.138 . . . . 0.0 111.832 172.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.7 m -57.4 -45.5 84.49 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.492 1.646 . . . . 0.0 110.185 171.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.37 -31.21 70.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 122.17 2.259 . . . . 0.0 111.115 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.82 -28.64 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.206 0.602 . . . . 0.0 110.081 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.46 -51.87 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.111 -1.618 . . . . 0.0 109.253 164.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -58.43 -37.35 63.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.329 1.052 . . . . 0.0 109.231 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.1 -48.81 80.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-O 118.704 -0.665 . . . . 0.0 111.099 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -52.48 -39.35 61.08 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.524 0.602 . . . . 0.0 109.997 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -41.26 74.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.631 0.773 . . . . 0.0 111.473 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -53.04 56.41 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.211 0.914 . . . . 0.0 110.888 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -69.21 -34.14 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 117.362 -1.304 . . . . 0.0 111.336 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -56.02 -53.49 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.727 1.211 . . . . 0.0 110.238 168.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -75.0 -7.31 53.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.3 56.53 6.81 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 128.769 3.08 . . . . 0.0 111.977 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 177.45 7.97 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.909 0.855 . . . . 0.0 112.243 -175.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -79.76 -173.46 3.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.529 1.157 . . . . 0.0 107.897 169.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.98 124.12 0.43 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 129.99 3.316 . . . . 0.0 108.43 167.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 34.2 mt -130.0 164.47 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.609 1.563 . . . . 0.0 108.159 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.18 177.53 4.69 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.764 0.826 . . . . 0.0 110.919 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.53 157.76 32.69 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.882 1.273 . . . . 0.0 112.694 -174.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m 68.25 44.23 1.41 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.267 2.227 . . . . 0.0 114.041 160.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.562 ' CD2' ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -60.89 103.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 126.888 2.075 . . . . 0.0 113.025 -169.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' ' 52' ' ' SER . 6.8 mmtt -72.06 76.97 0.94 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.98 2.512 . . . . 0.0 107.357 169.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 36.73 -77.85 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 129.208 3.003 . . . . 0.0 115.197 157.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -45.33 -61.86 1.5 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.233 1.813 . . . . 0.0 110.898 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 mm -52.42 -57.15 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 C-N-CA 126.693 1.997 . . . . 0.0 107.98 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.404 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 4.0 t -39.27 -55.53 1.68 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 108.777 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -55.41 -49.06 73.35 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.312 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.415 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 32.9 mt -62.28 -34.35 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 126.175 1.79 . . . . 0.0 109.197 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -51.69 64.25 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 169.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -59.67 -6.8 1.27 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 172.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 23.4 mt -78.8 -68.75 0.62 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 121.072 1.76 . . . . 0.0 108.366 176.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.4 m -78.29 17.49 0.63 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.843 1.201 . . . . 0.0 113.012 -173.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 m170 57.35 30.62 18.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.043 -1.66 . . . . 0.0 110.851 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.1 -24.02 66.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.899 0.88 . . . . 0.0 110.969 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -67.83 -6.43 21.45 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.759 2.424 . . . . 0.0 113.341 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -119.51 7.18 11.1 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.213 1.405 . . . . 0.0 111.824 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -106.46 -70.07 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -82.5 18.61 1.44 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.242 1.017 . . . . 0.0 110.502 174.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp 44.2 -157.46 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.979 0.912 . . . . 0.0 109.567 -169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -166.06 160.59 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.154 155.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -140.78 164.63 29.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.842 1.201 . . . . 0.0 108.336 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.81 -35.03 26.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.749 1.613 . . . . 0.0 109.551 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 p -135.8 156.18 49.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.243 0.545 . . . . 0.0 112.082 -172.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.47 -15.63 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.541 0.736 . . . . 0.0 111.572 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 -17.78 64.94 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.023 166.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -95.52 3.07 54.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.096 0.862 . . . . 0.0 112.434 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 CA-C-N 119.09 0.859 . . . . 0.0 111.945 -164.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 121.909 0.861 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -57.1 137.17 56.16 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 154.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -84.04 162.61 20.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.138 0.975 . . . . 0.0 109.657 175.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HB2' HD21 ' A' ' 27' ' ' ASN . 3.0 tm? -42.44 115.44 0.7 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 127.598 2.359 . . . . 0.0 109.919 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.82 158.38 42.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 126.591 1.956 . . . . 0.0 108.309 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -143.16 101.31 3.79 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 108.136 -170.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -98.12 83.76 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.47 0.481 . . . . 0.0 111.291 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.81 141.06 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.342 0.657 . . . . 0.0 109.532 -168.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.21 132.4 15.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 126.591 1.956 . . . . 0.0 108.382 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB3' ' HZ2' ' A' ' 44' ' ' LYS . 85.4 mt-10 -133.73 90.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.627 0.771 . . . . 0.0 110.069 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -133.74 -43.51 0.82 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 110.842 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 60.69 2.31 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.359 1.076 . . . . 0.0 109.435 -171.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.3 OUTLIER 50.22 -16.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 1 C-N-CA 132.21 4.204 . . . . 0.0 117.924 -168.553 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 48.4 mttp -96.36 170.14 9.44 Favored 'General case' 0 CA--C 1.496 -1.111 0 C-N-CA 127.153 2.181 . . . . 0.0 109.785 -178.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.49 132.0 45.11 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.459 -2.155 . . . . 0.0 105.586 153.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -129.3 129.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 102.759 -3.052 . . . . 0.0 102.759 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.82 110.32 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -170.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -73.53 102.93 3.98 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.72 130.51 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 162.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.42 124.83 23.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.35 -162.99 32.72 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-O 121.989 0.771 . . . . 0.0 112.008 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.17 106.93 9.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 102.741 -3.059 . . . . 0.0 102.741 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.91 96.06 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 25' ' ' ALA . 37.1 t70 -122.86 -170.1 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 124.386 1.074 . . . . 0.0 108.226 169.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' H ' ' CG ' ' A' ' 24' ' ' ASP . . . -58.09 -7.9 0.92 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.619 1.568 . . . . 0.0 114.286 174.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -79.2 -4.29 49.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.647 1.179 . . . . 0.0 112.872 168.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.492 HD21 ' HB2' ' A' ' 4' ' ' LEU . 3.2 m120 -146.53 -48.22 0.19 Allowed 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.637 -156.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 p -58.42 -7.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 112.76 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 t -77.34 -44.42 29.54 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.533 1.933 . . . . 0.0 110.452 168.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -111.95 -48.19 3.07 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.628 2.771 . . . . 0.0 111.137 -162.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tp -40.52 -43.4 1.84 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 120.218 1.372 . . . . 0.0 108.969 159.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -64.16 -52.8 57.28 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.594 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.24 -21.25 59.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.559 0.618 . . . . 0.0 111.005 -172.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -84.17 -35.53 23.5 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.59 -48.22 80.39 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.465 166.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -54.37 -47.98 72.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.33 0.968 . . . . 0.0 109.229 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -56.99 -56.73 17.96 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.19 0.596 . . . . 0.0 111.028 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.36 -52.11 23.24 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 126.733 2.013 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.5 -34.16 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -78.63 -16.18 57.65 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -112.77 -18.98 12.17 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.924 1.693 . . . . 0.0 113.452 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -66.34 -16.56 64.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -164.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 t 65.19 -28.92 0.11 Allowed 'General case' 0 CA--C 1.552 1.027 0 O-C-N 119.419 -2.05 . . . . 0.0 114.239 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.442 ' HZ2' ' HB3' ' A' ' 10' ' ' GLU . 6.2 mmmm -79.6 138.14 37.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.53 -1.981 . . . . 0.0 108.134 -175.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -77.72 4.61 11.18 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.769 -1.207 . . . . 0.0 113.011 172.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.92 114.86 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -166.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.71 111.39 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.18 113.62 34.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 169.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 tp -95.17 92.18 6.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.088 0.955 . . . . 0.0 109.719 178.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.57 119.73 28.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 126.322 1.849 . . . . 0.0 111.206 -168.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.72 19.16 16.19 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.701 -1.249 . . . . 0.0 113.358 -165.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -58.12 -25.37 61.31 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.597 1.159 . . . . 0.0 113.25 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 -42.1 19.65 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 120.369 -1.457 . . . . 0.0 112.596 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.16 127.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -160.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -123.03 -3.07 8.6 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -166.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -136.95 147.41 46.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.1 ttm -162.04 102.44 1.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.611 1.964 . . . . 0.0 109.251 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.65 -179.47 6.9 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.985 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.71 -25.4 67.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 112.05 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.21 68.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 126.654 2.073 . . . . 0.0 110.776 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.45 -54.21 49.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.943 0.897 . . . . 0.0 109.543 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -29.83 75.47 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.147 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.3 m -55.41 -51.65 66.17 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 118.224 1.012 . . . . 0.0 109.343 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.32 -32.45 71.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.475 1.489 . . . . 0.0 111.149 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.77 -35.05 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 121.983 -0.448 . . . . 0.0 110.15 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.05 -53.11 53.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.353 1.061 . . . . 0.0 108.693 167.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -57.9 -39.53 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -171.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.06 -52.8 63.85 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.8 -0.562 . . . . 0.0 111.402 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.12 -42.2 60.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.58 -40.99 98.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.654 0.781 . . . . 0.0 112.128 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.85 -55.68 27.75 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.556 1.142 . . . . 0.0 110.223 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -65.1 -39.85 93.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.087 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.21 -55.97 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 108.869 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -70.76 -10.43 59.48 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.9 55.74 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.958 1.742 . . . . 0.0 113.177 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.81 174.72 5.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.996 1.898 . . . . 0.0 111.331 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -104.21 144.98 30.87 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.477 1.111 . . . . 0.0 108.589 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -132.83 111.04 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.487 2.315 . . . . 0.0 107.248 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.9 mt -123.01 160.26 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 126.84 2.056 . . . . 0.0 109.126 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.29 164.53 16.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.84 158.81 44.22 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.05 0.94 . . . . 0.0 110.255 -171.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.6 m 60.62 47.91 7.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.242 1.817 . . . . 0.0 113.16 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.521 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -59.17 108.53 0.7 Allowed 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 130.301 3.44 . . . . 0.0 108.646 173.326 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -67.29 149.41 50.41 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 161.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.35 -48.26 62.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.629 0.649 . . . . 0.0 111.371 -167.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -53.02 -66.57 0.36 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.009 1.724 . . . . 0.0 110.791 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.52 -52.4 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.774 1.63 . . . . 0.0 108.744 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -44.57 -51.11 9.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.567 1.147 . . . . 0.0 108.614 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -50.27 64.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.504 1.922 . . . . 0.0 112.489 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.9 mt -60.35 -36.64 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.123 1.769 . . . . 0.0 110.094 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.83 -40.17 87.91 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.311 -1.493 . . . . 0.0 108.875 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -67.8 -25.09 65.42 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.22 -69.08 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 121.41 1.914 . . . . 0.0 110.655 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -81.47 15.52 2.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 122.834 0.454 . . . . 0.0 110.186 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.4 m80 50.76 39.45 22.05 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.053 1.741 . . . . 0.0 109.991 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.424 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 85.9 mt -74.13 -18.06 60.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.659 -0.651 . . . . 0.0 110.203 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.71 -10.93 6.05 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.1 -0.953 . . . . 0.0 113.492 170.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.13 -12.71 17.87 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.302 1.41 . . . . 0.0 113.485 166.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.85 -20.03 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 125.655 1.582 . . . . 0.0 110.467 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 3.6 m-85 -127.8 8.29 6.28 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.143 1.777 . . . . 0.0 112.354 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.54 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 14.1 tttp 49.16 -161.14 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -160.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.54 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -163.68 164.86 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 126.146 1.778 . . . . 0.0 108.303 152.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.8 p -138.9 153.53 48.28 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -51.66 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 p -142.75 177.0 8.62 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.004 0.521 . . . . 0.0 111.668 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.72 -18.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.691 0.797 . . . . 0.0 111.974 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.7 -19.06 47.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.038 0.935 . . . . 0.0 111.948 169.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 8.11 9.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.965 -0.459 . . . . 0.0 111.985 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.464 159.232 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -144.45 164.39 31.0 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 125.663 1.585 . . . . 0.0 109.661 -168.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -146.17 21.99 1.37 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.068 2.547 . . . . 0.0 109.684 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.12 120.08 12.55 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 124.677 1.191 . . . . 0.0 110.2 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -124.62 163.74 21.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.282 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -142.91 100.87 3.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 126.336 1.855 . . . . 0.0 107.827 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.83 73.7 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.63 -172.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -79.43 122.29 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.662 1.185 . . . . 0.0 108.68 -174.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.2 t -132.99 142.65 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.304 1.842 . . . . 0.0 108.341 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' HB3' ' HZ3' ' A' ' 44' ' ' LYS . 25.6 mt-10 -133.31 33.1 3.61 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.739 0.815 . . . . 0.0 111.842 175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.87 18.34 5.78 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 120.381 1.446 . . . . 0.0 113.519 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -136.97 29.44 2.82 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.2 -0.937 . . . . 0.0 111.481 -168.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.05 8.03 0.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.318 2.247 . . . . 0.0 114.342 -172.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -137.78 158.87 43.47 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 130.388 3.475 . . . . 0.0 105.3 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.75 112.14 23.8 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 127.047 2.139 . . . . 0.0 107.166 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.69 133.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -166.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 HG12 ' CE2' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -138.19 110.02 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -169.386 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -75.07 101.48 4.54 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.87 130.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.716 1.607 . . . . 0.0 109.264 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -145.88 60.5 1.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.758 1.223 . . . . 0.0 109.352 -162.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.37 123.77 0.81 Allowed Glycine 0 N--CA 1.471 1.025 0 C-N-CA 120.225 -0.988 . . . . 0.0 115.382 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.25 105.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 131.78 4.032 . . . . 0.0 113.153 -167.379 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mt -80.74 92.03 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 C-N-CA 124.572 1.149 . . . . 0.0 108.938 -162.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -129.77 -172.61 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.689 1.996 . . . . 0.0 106.444 168.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 -1.41 0.35 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.064 -1.647 . . . . 0.0 114.696 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -92.74 -1.06 57.13 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.667 1.587 . . . . 0.0 112.518 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -154.59 -33.11 0.1 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -53.67 -39.93 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.183 1.811 . . . . 0.0 108.552 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 m -63.24 -21.95 66.56 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.212 1.805 . . . . 0.0 114.831 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.4 -43.88 2.91 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.346 1.858 . . . . 0.0 109.029 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -39.18 2.37 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 120.264 -1.522 . . . . 0.0 109.136 163.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -66.23 -48.59 70.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 118.869 0.758 . . . . 0.0 112.82 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.26 -30.8 69.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.454 0.57 . . . . 0.0 110.442 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -83.18 -35.96 25.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.241 1.017 . . . . 0.0 108.556 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -34.06 76.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.358 -0.839 . . . . 0.0 112.746 169.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -64.38 -47.35 79.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.138 1.335 . . . . 0.0 109.376 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -52.66 40.66 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.776 0.831 . . . . 0.0 109.702 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.402 ' CE2' HG12 ' A' ' 17' ' ' VAL . 2.7 t80 -48.99 -58.39 4.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.953 2.101 . . . . 0.0 109.424 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -30.96 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 113.067 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -80.39 -43.48 20.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.239 0.927 . . . . 0.0 110.765 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -83.26 -28.53 29.1 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.736 0.698 . . . . 0.0 109.898 -166.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -65.37 138.68 58.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -98.75 -12.19 21.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 111.448 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HZ3' ' HB3' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -80.39 147.73 30.9 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.337 -1.477 . . . . 0.0 107.839 178.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -91.85 12.59 21.04 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.65 104.61 8.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.936 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.89 136.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.8 t -131.24 100.46 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 127.272 2.229 . . . . 0.0 105.987 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 tp -79.93 109.91 14.8 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -89.1 123.15 33.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.31 35.32 4.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.735 1.152 . . . . 0.0 111.572 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 t -60.74 -34.29 74.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.247 -0.908 . . . . 0.0 110.601 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m -98.21 -13.51 20.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG23 ' H ' ' A' ' 55' ' ' SER . 8.8 p -74.96 -170.96 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.383 0.992 . . . . 0.0 109.658 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.462 ' H ' HG23 ' A' ' 54' ' ' VAL . 38.9 m -159.28 -41.81 0.06 Allowed 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.846 -1.159 . . . . 0.0 111.505 162.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -91.12 138.7 31.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.515 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 ttm -150.99 104.37 3.14 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 108.098 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -85.95 -178.22 6.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 171.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.47 -44.91 76.91 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.312 0.645 . . . . 0.0 110.448 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.86 82.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 124.865 1.221 . . . . 0.0 113.507 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.72 -53.12 36.74 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 124.301 1.04 . . . . 0.0 109.217 -175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.74 73.45 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-O 117.452 -1.749 . . . . 0.0 112.109 173.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.6 m -56.17 -48.57 76.07 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.126 1.963 . . . . 0.0 109.757 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.2 -39.26 85.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.714 1.597 . . . . 0.0 111.254 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 t -64.11 -34.82 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.802 0.441 . . . . 0.0 110.113 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.79 -54.65 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.129 -0.982 . . . . 0.0 108.736 170.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.73 -42.5 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 119.453 1.024 . . . . 0.0 109.607 -172.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.8 -43.13 65.68 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.247 1.019 . . . . 0.0 111.518 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -55.65 -30.52 61.14 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 124.282 1.033 . . . . 0.0 111.069 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.32 -36.51 16.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.82 -54.99 7.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.298 1.408 . . . . 0.0 111.552 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -67.05 -37.91 84.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.75 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.08 -60.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 124.797 1.239 . . . . 0.0 108.452 168.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -71.39 0.29 8.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.896 0.878 . . . . 0.0 112.966 -173.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 26.66 32.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 127.254 2.359 . . . . 0.0 112.848 165.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -130.14 157.36 42.64 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.909 1.338 . . . . 0.0 113.22 -161.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -88.75 151.15 22.59 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.982 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -145.79 93.36 2.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.884 -159.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.0 mt -125.24 155.17 34.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 124.226 1.011 . . . . 0.0 110.345 -169.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.36 170.21 9.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 119.271 0.941 . . . . 0.0 109.374 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 161.91 27.49 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.862 0.865 . . . . 0.0 110.77 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.6 m 56.9 53.37 8.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.422 1.889 . . . . 0.0 113.341 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.507 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.46 117.03 10.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 130.272 3.429 . . . . 0.0 110.113 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -78.7 166.27 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.031 170.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -48.37 -56.67 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.136 1.335 . . . . 0.0 111.023 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 t -56.47 -65.52 0.59 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.55 0.74 . . . . 0.0 110.079 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.68 -55.73 14.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -171.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -43.86 -53.94 5.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.696 1.198 . . . . 0.0 108.906 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.97 -48.14 82.91 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 77.6 mt -56.63 -38.93 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.527 1.931 . . . . 0.0 110.27 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.38 -41.36 96.73 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 120.334 -1.479 . . . . 0.0 108.946 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.34 -30.48 71.2 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 171.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 15.5 mt -53.78 -60.56 3.15 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 120.098 1.317 . . . . 0.0 111.691 -174.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -90.48 22.55 3.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.89 0.768 . . . . 0.0 110.385 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.77 35.0 2.82 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 126.37 1.868 . . . . 0.0 113.607 -175.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.72 -23.95 67.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.47 1.108 . . . . 0.0 110.345 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -58.26 -18.61 27.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.253 2.221 . . . . 0.0 115.31 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -101.67 -21.92 14.56 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.148 1.34 . . . . 0.0 111.593 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -75.66 -44.84 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.4 m-85 -115.04 14.85 17.2 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 126.656 1.983 . . . . 0.0 111.925 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 4.1 tttt 50.97 -162.03 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.285 0.634 . . . . 0.0 110.042 -171.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -165.16 161.17 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.951 1.7 . . . . 0.0 108.922 155.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 16.2 p -139.55 131.39 27.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -30.74 71.75 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.417 -1.313 . . . . 0.0 111.633 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.0 p -142.07 174.92 10.16 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 110.448 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -60.01 -31.95 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.64 0.776 . . . . 0.0 110.338 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.57 -22.42 65.39 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.419 0.554 . . . . 0.0 111.417 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -88.18 6.23 37.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.888 0.767 . . . . 0.0 111.806 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.87 -1.538 . . . . 0.0 113.789 -174.876 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.234 0.243 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -134.58 170.47 15.74 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.189 1.396 . . . . 0.0 110.625 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -141.71 130.63 23.08 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.222 1.809 . . . . 0.0 107.318 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 20.5 t0 -113.41 66.43 0.66 Allowed 'General case' 0 CA--C 1.538 0.491 0 O-C-N 124.045 0.841 . . . . 0.0 110.73 -173.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -70.95 140.61 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 120.521 -1.362 . . . . 0.0 109.237 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.0 t -145.75 143.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 126.896 2.078 . . . . 0.0 106.862 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -131.45 -6.88 3.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.11 1.364 . . . . 0.0 113.293 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.16 1.46 11.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -157.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -126.94 24.13 6.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.698 2.399 . . . . 0.0 110.225 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 44' ' ' LYS 0.374 7.0 m-20 78.17 18.93 1.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.444 2.297 . . . . 0.0 115.327 173.195 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.69 126.2 17.78 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 125.044 1.338 . . . . 0.0 107.884 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.16 80.87 5.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.472 1.109 . . . . 0.0 108.691 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.45 132.74 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG13 HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -136.92 104.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.851 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 10.1 mtp180 -77.21 104.25 7.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.8 136.31 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -122.54 95.58 4.69 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 125.674 1.59 . . . . 0.0 107.299 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.5 164.05 11.87 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.1 173.45 7.83 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.633 1.173 . . . . 0.0 109.08 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.514 HD12 HG11 ' A' ' 54' ' ' VAL . 97.9 mt -135.9 96.22 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.402 -0.811 . . . . 0.0 109.553 -166.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -119.19 -166.83 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.797 1.639 . . . . 0.0 107.823 160.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 -9.84 4.5 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -84.62 -16.31 42.46 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 120.837 1.653 . . . . 0.0 111.315 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -133.07 -40.26 0.93 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.386 -166.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 p -53.43 -36.23 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.005 1.275 . . . . 0.0 109.759 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -33.74 19.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.755 2.022 . . . . 0.0 111.714 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.48 -52.69 2.77 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.694 1.598 . . . . 0.0 108.812 -164.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.446 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -42.82 -37.36 1.77 Allowed 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 125.223 1.409 . . . . 0.0 110.831 165.339 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.53 -57.59 8.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.042 1.292 . . . . 0.0 112.618 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.17 -21.16 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.32 -0.238 . . . . 0.0 111.314 -167.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -86.39 -37.23 18.59 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.935 1.294 . . . . 0.0 108.085 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 19.5 mt -68.18 -37.06 80.55 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.106 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -64.1 -32.47 74.05 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 120.935 -1.103 . . . . 0.0 111.65 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -54.05 44.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.902 0.774 . . . . 0.0 109.807 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.9 t80 -49.24 -47.97 46.05 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 127.211 2.204 . . . . 0.0 111.176 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.07 -35.41 47.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.623 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -80.46 -44.09 19.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.59 1.156 . . . . 0.0 110.381 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -69.1 -36.69 77.82 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.169 0.895 . . . . 0.0 110.427 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 t -74.77 127.06 32.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.938 -0.476 . . . . 0.0 109.945 -169.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -88.98 -13.3 39.23 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 111.704 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 13.0 mmmt -79.37 132.0 36.28 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -18.57 64.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.563 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 104.17 14.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 119.146 0.885 . . . . 0.0 108.987 -171.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.37 133.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 127.561 2.345 . . . . 0.0 107.459 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -130.39 96.26 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 HG13 ' A' ' 17' ' ' VAL . 12.6 tp -81.53 90.76 6.27 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.292 -175.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 82' ' ' SER . 12.1 m-20 -79.17 106.17 11.02 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -172.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.84 21.85 1.81 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.931 -1.106 . . . . 0.0 113.578 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -59.44 -5.87 0.91 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 -10.64 9.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.055 1.742 . . . . 0.0 112.194 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 23' ' ' ILE . 3.5 t -82.23 149.03 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.61 -46.56 0.32 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.754 0.822 . . . . 0.0 109.694 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -96.31 137.73 34.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.0 ttp -146.18 112.0 5.64 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.274 1.429 . . . . 0.0 109.634 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--N 1.326 -0.453 0 C-N-CA 125.383 1.473 . . . . 0.0 111.23 179.669 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.35 -38.6 45.19 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 123.556 0.598 . . . . 0.0 111.697 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.71 -55.57 31.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.43 -33.29 65.82 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-O 119.092 -0.838 . . . . 0.0 111.402 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.446 HG21 HD23 ' A' ' 31' ' ' LEU . 98.3 m -57.71 -49.01 77.97 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.619 1.209 . . . . 0.0 110.445 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.75 -35.92 75.57 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 121.229 1.831 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.42 -36.39 77.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.756 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.0 t -58.35 -53.94 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 124.192 0.997 . . . . 0.0 109.336 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.75 -40.82 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.507 1.123 . . . . 0.0 109.45 -172.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.48 -53.71 54.29 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.524 0.678 . . . . 0.0 110.501 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.05 -34.89 70.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.396 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -33.81 71.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.245 0.475 . . . . 0.0 111.221 173.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.46 79.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.289 1.035 . . . . 0.0 110.94 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.05 -36.63 77.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.999 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.13 -53.69 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.268 0.94 . . . . 0.0 108.817 164.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.38 0.33 14.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.52 40.75 99.08 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 125.493 1.52 . . . . 0.0 111.717 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -128.35 171.52 11.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.316 1.058 . . . . 0.0 112.246 -174.639 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -81.66 164.46 21.8 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -145.17 120.85 10.49 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.0 mt -133.71 151.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -177.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.59 166.15 15.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' A' ' 50' ' ' ASP . 28.4 t -147.82 161.31 41.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.286 1.434 . . . . 0.0 110.107 -169.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m 69.95 42.1 1.06 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.995 1.318 . . . . 0.0 114.379 160.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.604 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.88 107.96 2.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 130.451 3.5 . . . . 0.0 113.052 -176.195 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -65.68 162.58 18.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.29 1.436 . . . . 0.0 110.093 169.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.4 -46.7 66.41 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.915 1.689 . . . . 0.0 111.062 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -77.05 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.773 1.629 . . . . 0.0 109.295 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.5 mm -46.7 -49.82 6.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 126.944 2.098 . . . . 0.0 109.663 -172.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -52.99 -55.08 26.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.988 1.315 . . . . 0.0 109.185 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -46.02 63.52 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.776 -0.578 . . . . 0.0 109.934 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.669 ' C ' HD12 ' A' ' 94' ' ' LEU . 8.5 mt -77.37 15.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 126.649 1.98 . . . . 0.0 110.598 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 103' ' ' ILE . 4.8 mt -114.28 -40.36 3.68 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 119.58 -1.95 . . . . 0.0 107.179 168.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.21 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.317 -0.864 . . . . 0.0 112.018 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.669 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -59.41 -24.04 63.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.374 2.269 . . . . 0.0 113.876 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.503 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -128.39 25.36 5.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.806 0.842 . . . . 0.0 111.99 171.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 58.81 20.95 8.47 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.093 -1.005 . . . . 0.0 112.196 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.534 HD23 HD12 ' A' ' 100' ' ' ILE . 85.7 mt -65.27 -22.78 66.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 120.988 -1.07 . . . . 0.0 109.509 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.07 -17.22 62.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.734 1.214 . . . . 0.0 113.166 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -94.88 -13.42 25.49 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.905 1.229 . . . . 0.0 112.96 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.534 HD12 HD23 ' A' ' 97' ' ' LEU . 40.9 mt -90.49 -42.09 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.466 1.106 . . . . 0.0 108.933 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.2 m-85 -115.78 19.99 14.85 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 126.131 1.772 . . . . 0.0 110.413 -177.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HB3' HG23 ' A' ' 80' ' ' ILE . 4.1 ttpp 47.16 -161.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.717 0.689 . . . . 0.0 109.958 -163.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.649 HD11 HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -163.55 163.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 125.41 1.484 . . . . 0.0 108.245 150.072 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.456 HG21 ' HA ' ' A' ' 110' ' ' ALA . 60.9 p -136.21 145.2 45.43 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -53.15 24.09 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.5 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -138.27 -179.3 5.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.636 0.774 . . . . 0.0 111.726 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.1 p -61.02 -21.08 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.087 0.555 . . . . 0.0 111.337 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.53 -12.79 61.55 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.158 -0.964 . . . . 0.0 112.217 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -101.17 -10.92 19.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.863 1.211 . . . . 0.0 112.507 168.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.456 ' HA ' HG21 ' A' ' 104' ' ' THR . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.149 -1.882 . . . . 0.0 114.158 -160.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 CA--C 1.535 0.4 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -140.4 171.62 13.89 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.834 2.054 . . . . 0.0 109.762 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -147.68 125.75 12.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.647 1.979 . . . . 0.0 106.949 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.25 88.26 2.77 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 109.894 177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.76 118.25 25.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 125.426 1.49 . . . . 0.0 108.281 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.76 143.94 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.144 1.777 . . . . 0.0 108.25 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.72 -118.27 0.25 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 54.39 -176.48 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.625 1.97 . . . . 0.0 110.855 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 33.95 -99.24 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.625 1.97 . . . . 0.0 110.358 -153.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 3.3 p30 -146.16 -1.89 0.72 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 164.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD3' HG21 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -81.25 160.06 24.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 122.102 2.228 . . . . 0.0 108.62 173.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.18 123.34 49.36 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 127.352 2.261 . . . . 0.0 106.75 160.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.1 mt -126.36 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -128.55 112.32 26.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -78.22 97.19 5.44 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 123.612 0.765 . . . . 0.0 109.231 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.18 142.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 166.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.76 106.69 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.82 -177.89 20.17 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -172.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -115.74 176.11 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.818 2.047 . . . . 0.0 107.681 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -137.3 104.83 3.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 O-C-N 120.866 -1.146 . . . . 0.0 109.707 -166.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -137.7 -165.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 127.89 2.476 . . . . 0.0 107.822 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -12.23 52.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 119.841 -1.787 . . . . 0.0 115.339 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.22 -36.08 47.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 120.401 1.455 . . . . 0.0 109.849 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -112.82 -40.64 3.96 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.844 -159.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -55.94 -39.09 71.19 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 119.936 1.244 . . . . 0.0 109.46 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -37.98 -46.09 0.95 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.23 2.612 . . . . 0.0 113.167 163.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.53 -43.53 6.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 121.345 1.884 . . . . 0.0 112.27 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.04 -26.53 27.06 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 120.642 -1.286 . . . . 0.0 111.294 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -66.93 -65.59 0.66 Allowed 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 119.164 0.893 . . . . 0.0 110.656 168.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.58 -20.78 66.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.774 0.715 . . . . 0.0 111.793 -164.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -85.77 -38.19 18.48 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.727 0.811 . . . . 0.0 109.516 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD12 HG21 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -62.25 -43.62 98.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.071 0.85 . . . . 0.0 111.653 168.377 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -35.61 71.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.392 1.477 . . . . 0.0 109.026 175.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.67 -60.57 2.44 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.154 0.582 . . . . 0.0 110.829 169.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.1 t80 -47.52 -44.72 25.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 128.3 2.64 . . . . 0.0 112.04 -172.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -72.47 -22.3 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.452 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -72.46 -32.2 66.06 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.023 162.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 -20.62 26.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.808 1.64 . . . . 0.0 113.209 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.495 HG23 ' HE2' ' A' ' 77' ' ' LYS . 12.0 t -88.19 109.49 19.95 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.643 1.11 . . . . 0.0 113.336 -165.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -68.87 -2.56 9.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.745 1.618 . . . . 0.0 114.771 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 8.2 mmmm -93.45 128.23 39.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -75.97 -6.51 51.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.317 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 119.96 39.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.053 2.141 . . . . 0.0 106.965 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.75 128.21 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG21 ' HD3' ' A' ' 14' ' ' LYS . 85.1 t -127.48 97.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 125.853 1.661 . . . . 0.0 106.8 -174.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 17' ' ' VAL . 11.6 tp -79.83 101.93 8.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.326 -176.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -81.94 118.79 23.24 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.717 0.69 . . . . 0.0 110.882 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.2 mt -105.88 16.09 25.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.252 2.221 . . . . 0.0 112.279 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 8.5 t -58.82 -19.33 40.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.071 1.748 . . . . 0.0 114.053 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -92.48 -41.8 10.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.466 1.507 . . . . 0.0 110.142 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.3 t -64.35 115.42 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.314 1.046 . . . . 0.0 109.802 -162.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -95.86 -14.38 23.24 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.316 1.046 . . . . 0.0 112.307 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -154.12 140.32 18.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.918 0.781 . . . . 0.0 110.772 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.9 ttm -138.61 119.2 13.94 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.842 1.657 . . . . 0.0 109.115 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 C--O 1.235 0.34 0 CA-C-O 121.277 0.561 . . . . 0.0 111.061 175.722 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.485 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.4 93.51 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 125.159 1.361 . . . . 0.0 111.666 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.455 HD21 HG22 ' A' ' 91' ' ' ILE . 6.1 mt -59.56 -51.63 69.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.787 0.835 . . . . 0.0 109.407 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.46 72.3 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.701 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.8 m -59.4 -46.91 87.38 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.321 1.061 . . . . 0.0 109.011 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.46 -33.4 69.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.696 1.589 . . . . 0.0 111.931 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.74 -33.92 62.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.162 -0.961 . . . . 0.0 110.542 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.05 -53.58 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 108.621 170.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.492 HG21 HD12 ' A' ' 35' ' ' LEU . 1.5 mm -51.77 -40.87 28.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.461 1.504 . . . . 0.0 109.414 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.405 HD21 ' HE3' ' A' ' 73' ' ' LYS . 2.8 tm? -62.28 -54.38 41.49 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.302 -0.874 . . . . 0.0 112.358 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -40.34 19.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.125 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -44.67 91.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.936 0.894 . . . . 0.0 112.003 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.83 60.42 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 125.225 1.41 . . . . 0.0 110.615 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HE3' HD21 ' A' ' 69' ' ' LEU . 5.7 mmtp -70.87 -33.78 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.507 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mt -53.67 -61.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.053 0.941 . . . . 0.0 108.658 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -72.37 -6.49 43.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.211 1.004 . . . . 0.0 112.528 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.45 58.73 7.47 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 127.117 2.294 . . . . 0.0 113.432 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' HE2' HG23 ' A' ' 42' ' ' THR . 0.7 OUTLIER -146.17 171.03 15.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 119.094 1.447 . . . . 0.0 113.184 177.291 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -101.78 97.55 7.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.623 1.569 . . . . 0.0 108.707 -169.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -85.65 120.19 26.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.22 0.608 . . . . 0.0 109.8 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 19.4 mt -130.46 160.29 41.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.471 1.909 . . . . 0.0 108.214 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -120.27 169.98 9.77 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.571 -0.706 . . . . 0.0 110.325 177.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 104' ' ' THR . 40.6 t -156.09 162.39 40.27 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.941 0.496 . . . . 0.0 111.86 -167.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 m 60.53 43.9 12.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.043 1.737 . . . . 0.0 114.738 167.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -60.88 102.21 0.18 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 128.591 2.756 . . . . 0.0 111.78 -174.174 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 52' ' ' SER . 14.8 mttm -67.12 164.39 18.1 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.128 168.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -29.85 69.87 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -165.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -70.73 -68.91 0.4 Allowed 'General case' 0 C--N 1.341 0.226 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.49 -58.74 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 125.912 1.685 . . . . 0.0 108.434 -169.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 t -31.34 -68.59 0.08 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.542 1.537 . . . . 0.0 111.044 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -40.87 65.11 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.683 1.593 . . . . 0.0 111.578 -176.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.455 HG22 HD21 ' A' ' 62' ' ' LEU . 78.3 mt -67.13 -36.92 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 126.529 1.932 . . . . 0.0 109.278 -174.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -63.25 -43.86 96.81 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 120.941 -1.1 . . . . 0.0 108.846 173.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -19.52 64.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.6 -62.05 2.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.378 1.899 . . . . 0.0 109.456 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 7.02 3.56 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.685 1.594 . . . . 0.0 112.542 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.0 m80 49.87 35.13 8.78 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.814 1.645 . . . . 0.0 112.909 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 100' ' ' ILE . 95.1 mt -74.56 -19.43 60.34 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.46 -8.56 14.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 127.696 2.398 . . . . 0.0 114.595 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -107.53 -10.01 15.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.653 1.181 . . . . 0.0 112.831 169.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.429 HD12 HD23 ' A' ' 97' ' ' LEU . 83.3 mt -95.1 -59.5 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -90.16 18.68 5.68 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.245 1.018 . . . . 0.0 111.258 175.298 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.505 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 8.7 ttpp 47.81 -155.98 0.06 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.323 -0.861 . . . . 0.0 109.849 -169.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.519 HG12 HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -171.48 156.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 126.394 1.878 . . . . 0.0 109.03 159.293 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.505 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 62.0 p -149.02 104.07 3.4 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.26 -25.49 67.87 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.073 -1.017 . . . . 0.0 111.8 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -133.84 153.73 51.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.984 1.714 . . . . 0.0 109.395 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.35 -27.14 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.585 -0.697 . . . . 0.0 111.28 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.58 -16.55 62.3 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.468 1.107 . . . . 0.0 111.36 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -81.96 -10.46 59.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.427 1.012 . . . . 0.0 112.072 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.161 1.384 . . . . 0.0 111.125 177.129 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.432 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -133.05 162.25 32.22 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.699 0.799 . . . . 0.0 110.789 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.432 HD22 HG11 ' A' ' 17' ' ' VAL . 61.7 mt -143.56 103.22 4.06 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.127 1.771 . . . . 0.0 107.903 -169.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 84.35 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.9 mt -78.73 126.45 38.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.28 126.1 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 109.827 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.98 31.04 1.6 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.926 2.091 . . . . 0.0 112.693 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -72.24 -4.88 32.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.471 1.509 . . . . 0.0 114.537 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 -83.12 0.6 Allowed 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.28 -2.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.058 0.943 . . . . 0.0 113.146 -160.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -147.41 125.43 12.07 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 120.046 1.294 . . . . 0.0 108.886 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.89 87.91 5.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.044 1.338 . . . . 0.0 109.326 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.08 152.8 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.609 ' HB ' HD12 ' A' ' 49' ' ' LEU . 3.9 t -133.01 114.45 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 166.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.7 mtp85 -85.27 97.44 9.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.24 132.99 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -121.28 16.9 11.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -157.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.85 167.87 40.8 Favored Glycine 0 C--N 1.316 -0.578 0 O-C-N 121.011 -1.056 . . . . 0.0 111.256 -172.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -74.0 176.55 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 -170.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.485 HD12 HG11 ' A' ' 54' ' ' VAL . 90.3 mt -134.45 60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.71 -179.42 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 119.765 -1.834 . . . . 0.0 108.751 166.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.93 -10.83 10.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 120.65 -1.282 . . . . 0.0 113.689 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.52 -20.01 44.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.865 0.866 . . . . 0.0 111.878 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -127.93 -44.02 1.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 124.515 1.126 . . . . 0.0 110.734 -163.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -50.25 -47.37 55.16 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 125.31 1.444 . . . . 0.0 109.436 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.73 -40.79 6.29 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.265 2.226 . . . . 0.0 113.615 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -93.95 -44.78 7.91 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 120.256 1.389 . . . . 0.0 110.97 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.61 HD23 HG21 ' A' ' 64' ' ' THR 0.253 0.4 OUTLIER -48.15 -34.78 10.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.585 1.154 . . . . 0.0 109.842 166.41 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HG3' HG23 ' A' ' 64' ' ' THR . 12.2 ttpt -68.12 -59.29 3.35 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.111 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.85 -0.86 6.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 120.047 1.294 . . . . 0.0 113.89 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -109.93 -40.78 4.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.15 1.78 . . . . 0.0 109.381 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.23 -31.64 71.27 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 120.396 -1.44 . . . . 0.0 111.376 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -67.0 -12.35 59.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.027 1.331 . . . . 0.0 111.477 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' HG22 ' A' ' 41' ' ' THR . 4.2 m-20 -93.56 -55.43 3.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.149 -0.969 . . . . 0.0 110.377 170.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CE2' HG21 ' A' ' 17' ' ' VAL . 2.8 t80 -35.87 -60.05 0.55 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 128.816 2.846 . . . . 0.0 110.9 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.84 -27.2 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -85.31 -4.83 59.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.943 2.097 . . . . 0.0 112.102 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 37' ' ' ASN . 5.1 t -144.94 43.12 1.33 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.637 1.562 . . . . 0.0 111.71 -169.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t -133.65 -13.58 2.57 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.073 -1.642 . . . . 0.0 114.637 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t 60.35 -22.61 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.167 2.187 . . . . 0.0 115.718 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -78.48 128.57 33.76 Favored 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 119.751 -1.843 . . . . 0.0 106.979 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.78 -17.02 64.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.419 168.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 117.53 31.17 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.63 1.104 . . . . 0.0 109.572 -174.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.0 134.54 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 129.173 2.989 . . . . 0.0 107.417 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -136.32 93.88 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.286 2.634 . . . . 0.0 108.226 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.609 HD12 ' HB ' ' A' ' 17' ' ' VAL . 9.2 tp -79.91 102.05 8.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.17 101.74 12.72 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.133 1.773 . . . . 0.0 109.04 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 18.02 5.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 3.3 t -60.1 -19.05 51.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.312 1.869 . . . . 0.0 115.424 -169.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -84.78 -40.36 17.31 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.694 1.133 . . . . 0.0 109.163 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.485 HG11 HD12 ' A' ' 23' ' ' ILE . 7.2 t -66.27 131.82 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 108.124 -166.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -51.02 2.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.112 1.765 . . . . 0.0 109.584 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -99.49 142.49 30.9 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.4 ttm -146.15 115.5 7.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.878 1.671 . . . . 0.0 107.61 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 0.0 112.065 176.797 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.8 -53.14 43.22 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.681 1.134 . . . . 0.0 113.676 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 97' ' ' LEU . 19.2 tp -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.242 1.021 . . . . 0.0 109.722 -169.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.83 -14.12 78.42 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-O 117.507 -1.719 . . . . 0.0 113.826 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.61 HG21 HD23 ' A' ' 31' ' ' LEU . 54.2 m -66.52 -45.23 80.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 120.135 1.968 . . . . 0.0 108.599 168.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.42 -29.56 69.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.887 1.676 . . . . 0.0 111.205 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -66.95 -39.91 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 124.298 1.039 . . . . 0.0 110.657 173.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.7 t -58.93 -47.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 120.568 -1.333 . . . . 0.0 109.944 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.64 -38.69 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.806 0.842 . . . . 0.0 109.354 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.38 -53.05 62.71 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.263 -0.398 . . . . 0.0 110.033 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -51.75 -41.65 61.73 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -35.84 80.02 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.84 66.01 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.467 0.707 . . . . 0.0 110.17 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -31.2 62.73 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 117.749 -1.119 . . . . 0.0 112.005 -175.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.2 mt -51.81 -57.6 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.098 1.359 . . . . 0.0 108.675 165.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.37 -9.6 58.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.341 0.656 . . . . 0.0 112.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.6 36.04 49.85 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.763 1.649 . . . . 0.0 115.013 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -123.47 -174.72 3.03 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 121.155 2.477 . . . . 0.0 113.51 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.86 163.89 12.61 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.406 1.483 . . . . 0.0 108.502 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -156.08 110.31 2.81 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.897 1.679 . . . . 0.0 108.026 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 102' ' ' LYS . 9.4 mt -128.13 149.28 32.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.012 -173.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 HG13 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -107.57 170.6 7.88 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.752 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -168.59 157.01 8.36 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -159.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 7.0 m 51.75 47.99 23.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.632 1.573 . . . . 0.0 113.404 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.606 HD21 HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -54.6 133.71 46.58 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.964 2.906 . . . . 0.0 110.086 177.566 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -87.81 159.19 18.52 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 116.94 -1.505 . . . . 0.0 109.429 162.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.47 -43.42 45.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.372 1.442 . . . . 0.0 111.694 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -68.48 0.36 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.645 1.178 . . . . 0.0 109.103 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.495 ' HA ' HD12 ' A' ' 91' ' ' ILE . 23.3 mm -47.69 -58.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 127.732 2.413 . . . . 0.0 109.336 -176.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -38.87 -60.32 0.86 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.654 1.581 . . . . 0.0 110.97 174.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 5.1 ttm180 -59.15 -50.65 73.23 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.854 -172.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 88' ' ' ILE . 13.6 mt -51.56 -34.41 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.117 1.767 . . . . 0.0 109.923 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.59 -45.31 65.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.015 -1.053 . . . . 0.0 109.252 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -66.71 -18.11 65.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.135 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.82 -63.9 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 120.851 1.66 . . . . 0.0 110.761 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -81.11 22.43 0.64 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.641 0.655 . . . . 0.0 111.052 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m170 38.78 42.27 0.6 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 127.017 2.127 . . . . 0.0 113.738 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 62' ' ' LEU . 84.2 mt -66.29 -24.4 66.55 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.787 0.835 . . . . 0.0 109.649 176.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.84 -14.03 57.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.469 1.908 . . . . 0.0 114.386 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -111.99 8.85 20.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.566 0.746 . . . . 0.0 111.987 171.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.457 HD12 HD23 ' A' ' 97' ' ' LEU . 31.2 mt -105.72 -67.73 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 172.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.65 11.79 3.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.272 2.229 . . . . 0.0 112.74 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.487 ' HB3' HG23 ' A' ' 80' ' ' ILE . 1.7 ttpp 51.76 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.131 0.973 . . . . 0.0 110.484 -170.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.606 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -165.95 156.24 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 123.935 0.894 . . . . 0.0 110.036 161.333 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 82.5 p -137.29 146.39 44.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -46.19 67.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 121.192 -0.943 . . . . 0.0 109.386 168.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 74.4 p -141.03 164.81 29.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.23 1.812 . . . . 0.0 109.354 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.45 HG22 ' H ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -44.13 -36.46 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 C-N-CA 127.43 2.292 . . . . 0.0 111.8 170.427 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.72 -27.64 68.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.661 0.6 . . . . 0.0 110.81 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -88.04 -0.63 57.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.975 0.51 . . . . 0.0 111.78 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.376 1.07 . . . . 0.0 111.5 -177.838 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.237 0.416 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.99 173.02 12.02 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.155 1.782 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.501 HD22 HG11 ' A' ' 17' ' ' VAL . 24.4 mt -142.43 141.44 32.21 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.242 2.217 . . . . 0.0 105.115 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.78 84.8 2.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.4 mt -76.67 131.24 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 126.857 2.063 . . . . 0.0 106.937 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -138.06 133.82 44.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 118.885 0.766 . . . . 0.0 109.535 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 96.8 mt-10 -128.27 100.3 5.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.91 0.884 . . . . 0.0 109.37 -176.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -131.51 -87.21 0.48 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.645 0.657 . . . . 0.0 111.034 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.28 83.48 0.37 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 163.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.5 OUTLIER 40.87 -5.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.245 1 C-N-CA 133.81 4.844 . . . . 0.0 119.161 171.398 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.615 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 4.7 mttp -88.07 168.27 12.95 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 130.03 3.332 . . . . 0.0 108.596 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . . . -117.55 87.87 2.8 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 128.822 2.849 . . . . 0.0 108.419 159.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.75 152.45 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG11 HD22 ' A' ' 6' ' ' LEU . 6.4 t -133.02 122.12 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 158.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -80.43 98.63 7.6 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 170.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.87 135.15 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -135.5 87.11 2.29 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.535 0.734 . . . . 0.0 110.353 -163.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.2 177.34 33.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.47 122.75 48.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.38 164.09 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -172.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 168.44 179.95 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 131.344 3.858 . . . . 0.0 105.836 168.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.96 4.09 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.549 1.522 . . . . 0.0 113.491 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -6.28 57.78 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.652 1.181 . . . . 0.0 113.161 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -137.17 -32.57 0.78 Allowed 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 126.081 1.752 . . . . 0.0 113.489 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 p -59.95 -33.39 71.85 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.198 1.817 . . . . 0.0 109.58 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -57.71 7.94 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 130.613 3.565 . . . . 0.0 110.265 169.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.11 -43.86 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.039 0.836 . . . . 0.0 111.503 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -53.54 -29.23 35.81 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 117.049 -1.453 . . . . 0.0 109.994 171.293 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HA ' HG23 ' A' ' 64' ' ' THR . 5.3 ttpt -63.81 -60.61 3.06 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.901 1.682 . . . . 0.0 111.882 170.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.401 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 10.3 pt-20 -73.66 -25.72 60.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.284 -163.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -75.63 -38.64 58.77 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -64.9 -40.68 95.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 172.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -62.04 -45.63 92.7 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.135 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.55 -47.86 82.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 118.837 0.744 . . . . 0.0 110.959 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -49.97 -45.11 51.17 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.497 ' HA ' HG22 ' A' ' 42' ' ' THR . 4.9 mm -64.68 -33.27 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 O-C-N 121.66 -0.65 . . . . 0.0 111.687 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -80.85 -10.31 59.73 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.83 173.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.7 p -88.91 -49.84 6.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.169 1.804 . . . . 0.0 108.726 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.2 t -62.22 103.3 0.37 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.372 1.469 . . . . 0.0 112.963 -160.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -71.05 14.37 0.15 Allowed 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 113.845 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 10' ' ' GLU . 5.3 mmmm -103.91 155.29 18.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.05 2.14 . . . . 0.0 108.552 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -89.09 3.99 49.94 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.683 -0.635 . . . . 0.0 112.409 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.42 123.34 13.51 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 119.902 1.228 . . . . 0.0 108.934 -169.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.0 143.02 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -126.07 93.62 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 165.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD21 HD11 ' A' ' 35' ' ' LEU . 7.7 tp -79.75 99.87 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -174.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 110.24 19.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.125 2.57 . . . . 0.0 110.758 -170.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.9 7.99 36.87 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -160.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 2.6 t -63.37 -16.12 59.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.129 1.332 . . . . 0.0 113.845 -167.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -80.59 -20.82 42.44 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.529 1.513 . . . . 0.0 111.56 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 t -99.89 122.68 52.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 126.18 1.792 . . . . 0.0 108.2 -164.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -113.07 -42.33 3.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 119.522 1.055 . . . . 0.0 111.384 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -100.61 140.59 34.67 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.092 0.86 . . . . 0.0 109.734 -173.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.8 ttm -154.43 128.9 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.023 1.729 . . . . 0.0 109.827 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 126.606 1.962 . . . . 0.0 109.852 -179.302 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.05 97.22 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.504 1.049 . . . . 0.0 112.303 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' A' ' 62' ' ' LEU . 8.8 mt -64.12 -59.77 4.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 117.892 0.846 . . . . 0.0 109.16 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.29 -17.16 59.04 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.788 -1.007 . . . . 0.0 114.174 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.477 HG21 HD23 ' A' ' 31' ' ' LEU . 7.9 m -57.61 -52.23 66.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 119.981 1.891 . . . . 0.0 108.894 165.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.62 -31.14 70.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 120.082 1.31 . . . . 0.0 111.449 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.85 -23.95 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.204 1.002 . . . . 0.0 110.857 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -68.07 -47.1 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.911 1.284 . . . . 0.0 109.408 162.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.568 HG21 HD12 ' A' ' 35' ' ' LEU . 3.4 mm -66.18 -33.68 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.72 -52.02 63.77 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.032 -1.043 . . . . 0.0 109.856 168.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.27 -44.82 61.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.265 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -67.14 -37.63 84.16 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.795 0.684 . . . . 0.0 110.646 -179.15 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.56 83.7 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.003 0.819 . . . . 0.0 111.157 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -74.08 -32.33 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 117.833 -1.08 . . . . 0.0 111.6 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.07 -59.83 2.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 34.3 m-80 -79.06 3.59 16.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.17 -173.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.55 60.4 5.45 Favored Glycine 0 C--N 1.319 -0.391 0 C-N-CA 127.508 2.48 . . . . 0.0 113.026 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -143.33 169.22 18.05 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.278 1.039 . . . . 0.0 113.133 -179.545 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.67 163.21 19.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.41 1.884 . . . . 0.0 108.877 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -148.97 126.02 11.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.06 1.744 . . . . 0.0 106.849 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.693 ' C ' HD13 ' A' ' 81' ' ' LEU . 46.6 mt -152.88 146.82 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 127.591 2.356 . . . . 0.0 105.123 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.693 HD13 ' C ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -119.71 167.11 12.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.412 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.77 166.75 25.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.021 1.329 . . . . 0.0 113.11 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 15.7 m 57.42 43.49 23.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.624 1.97 . . . . 0.0 112.798 158.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.54 HD21 HD11 ' A' ' 103' ' ' ILE . 14.1 mt -53.58 109.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 130.377 3.471 . . . . 0.0 111.414 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -69.33 96.93 0.91 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 157.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 23.97 -79.44 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.171 2.188 . . . . 0.0 115.42 155.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -41.26 -66.02 0.38 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.41 1.884 . . . . 0.0 112.378 171.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.3 -60.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 C-N-CA 127.018 2.127 . . . . 0.0 107.38 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.1 t -32.34 -56.86 0.33 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 120.204 1.366 . . . . 0.0 111.245 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 31.7 mtt-85 -62.2 -46.57 88.29 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.115 -1.615 . . . . 0.0 113.893 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.03 -35.57 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 119.606 1.094 . . . . 0.0 110.08 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.4 mm? -66.62 -48.69 68.69 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.754 -1.216 . . . . 0.0 109.255 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 4.6 mppt? -56.38 -33.06 65.37 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 117.184 -1.389 . . . . 0.0 114.51 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -52.86 -58.96 5.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.611 1.55 . . . . 0.0 110.274 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.2 m -82.86 13.11 4.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.677 1.191 . . . . 0.0 110.766 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.7 m80 51.52 21.39 1.25 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.94 1.696 . . . . 0.0 113.059 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.709 HD23 HD12 ' A' ' 100' ' ' ILE . 65.9 mt -64.98 -26.84 68.47 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.695 0.798 . . . . 0.0 110.891 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -17.96 1.59 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.25 1.82 . . . . 0.0 113.489 166.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -107.67 -14.86 14.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.581 1.552 . . . . 0.0 112.119 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.709 HD12 HD23 ' A' ' 97' ' ' LEU . 85.8 mt -90.89 -50.01 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 126.102 1.761 . . . . 0.0 106.877 -174.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 8.6 m-85 -95.5 5.11 52.4 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 127.948 2.499 . . . . 0.0 111.813 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.35 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.591 -0.693 . . . . 0.0 109.222 -154.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.54 HD11 HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -168.11 160.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 126.511 1.925 . . . . 0.0 106.218 158.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 p -132.11 141.9 49.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -31.14 70.08 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 120.39 -1.444 . . . . 0.0 109.505 169.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.1 p -143.12 156.26 44.76 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.231 1.012 . . . . 0.0 111.55 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.6 -21.27 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.593 0.757 . . . . 0.0 111.389 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.45 -16.57 63.95 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.195 1.398 . . . . 0.0 112.108 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.91 -4.56 46.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.468 1.031 . . . . 0.0 113.336 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.615 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.242 0.694 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.236 0.394 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.71 149.84 41.05 Favored 'General case' 0 N--CA 1.461 0.125 0 C-N-CA 123.384 0.674 . . . . 0.0 110.103 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -115.53 134.48 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.98 81.34 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.669 0.787 . . . . 0.0 109.409 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.2 mt -82.62 123.65 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.19 1.396 . . . . 0.0 109.129 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.51 147.91 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 127.605 2.362 . . . . 0.0 107.483 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -131.18 82.59 2.05 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -135.77 164.04 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 46.73 37.75 5.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.549 1.54 . . . . 0.0 111.609 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.2 16.4 10.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 128.967 2.907 . . . . 0.0 114.152 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -133.43 137.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.826 1.65 . . . . 0.0 107.715 -169.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.61 113.29 20.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mt -120.07 126.11 74.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.625 HG13 HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -132.72 109.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -169.591 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -77.23 101.58 6.29 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.0 t -72.83 112.98 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 125.252 1.421 . . . . 0.0 108.072 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -113.65 122.32 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.95 1.7 . . . . 0.0 107.01 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.86 177.16 14.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.03 1.3 . . . . 0.0 111.223 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.81 111.52 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.336 1.854 . . . . 0.0 109.581 -164.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -83.59 62.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.206 1.402 . . . . 0.0 110.041 -153.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -81.77 175.93 10.03 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.037 -1.664 . . . . 0.0 109.298 165.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -8.19 4.67 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.171 -1.581 . . . . 0.0 114.306 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -81.33 -4.62 56.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.714 1.143 . . . . 0.0 111.791 170.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -138.24 -44.94 0.51 Allowed 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.771 1.228 . . . . 0.0 111.265 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -47.77 -39.0 16.78 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.895 1.678 . . . . 0.0 111.292 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -54.16 45.88 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 128.446 2.698 . . . . 0.0 112.021 172.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.26 -43.89 12.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.408 -1.432 . . . . 0.0 112.265 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD23 HG21 ' A' ' 64' ' ' THR . 3.6 tt -47.42 -34.31 7.03 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.361 1.065 . . . . 0.0 110.061 165.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -68.96 -54.17 16.79 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 119.763 1.165 . . . . 0.0 110.73 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.64 -28.94 66.15 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.409 1.084 . . . . 0.0 111.032 -173.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -96.26 -36.86 10.76 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.858 1.263 . . . . 0.0 108.912 -169.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD13 HD21 ' A' ' 49' ' ' LEU . 18.0 mt -72.1 -34.84 68.95 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.582 173.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -57.99 8.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 166.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -40.54 95.8 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.912 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -51.51 -50.51 59.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.549 1.14 . . . . 0.0 110.551 175.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.07 -29.11 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.915 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -23.7 61.77 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.909 1.284 . . . . 0.0 112.736 174.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -92.39 -60.51 1.82 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 120.407 1.458 . . . . 0.0 108.098 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -58.32 122.92 14.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.66 0.743 . . . . 0.0 111.99 -153.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.6 p -65.46 -9.57 26.76 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.841 -1.162 . . . . 0.0 113.999 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -78.76 119.84 22.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -75.36 6.9 3.98 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.049 -0.407 . . . . 0.0 111.619 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.65 125.42 33.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.109 1.763 . . . . 0.0 106.561 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.17 137.74 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.91 99.85 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 126.84 2.056 . . . . 0.0 105.948 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD12 HG13 ' A' ' 17' ' ' VAL . 8.4 tp -84.13 83.75 7.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.203 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.77 104.78 2.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.666 0.787 . . . . 0.0 111.151 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.04 18.07 7.21 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.567 0.747 . . . . 0.0 112.45 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -62.31 -15.79 50.06 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.8 m -107.98 -11.44 15.32 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.519 1.054 . . . . 0.0 112.339 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.05 144.43 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 119.445 1.02 . . . . 0.0 108.26 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -141.92 -39.87 0.37 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.161 . . . . 0.0 111.253 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -104.75 149.38 25.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.032 0.933 . . . . 0.0 109.352 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.3 ttp -157.83 123.71 4.66 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.705 1.202 . . . . 0.0 110.847 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.535 0.378 0 C-N-CA 125.724 1.61 . . . . 0.0 110.069 173.642 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.53 -34.69 49.86 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.284 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 62' ' ' LEU . 10.6 tp -76.2 -17.66 59.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.251 1.02 . . . . 0.0 113.602 -173.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.71 -34.44 7.82 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 118.657 -1.08 . . . . 0.0 110.872 164.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.463 HG21 HD23 ' A' ' 31' ' ' LEU . 30.9 m -56.49 -52.36 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.526 1.663 . . . . 0.0 111.294 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.85 -28.02 67.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 122.612 2.46 . . . . 0.0 111.795 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.78 -35.06 63.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 121.533 -0.729 . . . . 0.0 110.632 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.92 -50.85 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 120.849 -1.157 . . . . 0.0 109.008 165.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.495 0.718 . . . . 0.0 109.398 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.9 tm? -62.89 -52.41 63.21 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.686 -0.633 . . . . 0.0 110.56 174.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -52.49 -36.23 54.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.218 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -36.78 74.66 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.692 0.678 . . . . 0.0 112.194 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.5 65.29 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.619 1.168 . . . . 0.0 110.252 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -72.89 -30.65 64.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 117.111 -1.423 . . . . 0.0 112.519 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.91 -58.67 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 119.923 1.238 . . . . 0.0 108.233 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -73.86 -3.24 27.58 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.46 59.02 11.38 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 126.73 2.109 . . . . 0.0 112.123 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.13 170.58 15.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 117.772 0.786 . . . . 0.0 111.091 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.82 161.01 31.25 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 166.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -139.2 113.9 9.2 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 164.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 15.6 mt -124.84 150.08 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -89.4 -139.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.0 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.5 t 164.84 167.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.32 3.048 . . . . 0.0 109.781 154.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m 61.34 61.37 1.54 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.034 2.134 . . . . 0.0 113.076 165.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -78.44 112.55 15.59 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.129 2.572 . . . . 0.0 112.122 -175.494 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -76.07 142.38 41.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 117.218 -1.372 . . . . 0.0 108.125 165.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -34.1 -54.29 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.324 1.849 . . . . 0.0 114.579 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -62.15 -62.48 1.75 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.104 0.865 . . . . 0.0 111.848 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.8 mm -49.89 -53.73 9.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 107.88 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.437 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 6.1 t -40.54 -58.52 1.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.642 1.977 . . . . 0.0 110.051 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -51.71 -54.17 31.26 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 123.862 0.865 . . . . 0.0 110.859 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.435 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 64.2 mt -56.84 -39.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 126.967 2.107 . . . . 0.0 109.376 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.28 -44.08 92.79 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 120.585 -1.322 . . . . 0.0 109.89 174.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' A' ' 89' ' ' SER . 1.5 mppt? -67.74 -26.32 66.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 7.3 mt -57.67 -58.14 9.66 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.213 1.405 . . . . 0.0 110.797 -174.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.45 19.47 2.79 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.818 0.735 . . . . 0.0 111.109 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.3 m170 46.87 34.86 2.84 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 126.373 1.869 . . . . 0.0 113.43 -170.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.39 -29.53 70.6 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.726 0.811 . . . . 0.0 109.336 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.55 -11.01 2.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.362 2.265 . . . . 0.0 116.034 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -113.0 -5.99 13.76 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.887 1.676 . . . . 0.0 112.67 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.77 -65.2 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -84.44 16.3 3.19 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 126.903 2.081 . . . . 0.0 111.932 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 47.23 -168.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.596 1.089 . . . . 0.0 110.676 -168.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.507 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -161.99 161.09 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.59 155.341 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 109' ' ' GLU . 61.7 p -146.38 150.72 36.22 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 108.885 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.34 -34.22 65.52 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 163.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -144.75 157.11 44.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 123.005 0.522 . . . . 0.0 110.254 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.51 -39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 127.901 2.48 . . . . 0.0 111.542 161.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -59.04 -26.49 64.62 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.227 0.611 . . . . 0.0 111.198 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 104' ' ' THR . 1.0 OUTLIER -100.22 4.31 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.271 1.428 . . . . 0.0 111.706 -174.677 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.167 -174.228 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 C--O 1.237 0.413 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 162.38 32.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.26 1.024 . . . . 0.0 109.519 169.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -145.84 105.81 4.01 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.18 83.72 1.81 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -167.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 mt -83.9 133.91 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.865 2.066 . . . . 0.0 108.278 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 11' ' ' GLN . 71.0 t -135.24 143.3 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 126.259 1.824 . . . . 0.0 108.53 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -136.19 37.47 2.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.68 1.992 . . . . 0.0 109.126 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' H ' HG12 ' A' ' 9' ' ' VAL . 51.8 mt-30 -60.64 -11.69 8.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.452 1.101 . . . . 0.0 113.029 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -142.71 -175.47 4.5 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.382 2.673 . . . . 0.0 105.95 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -68.87 4.81 1.32 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -174.155 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -114.31 123.23 48.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.13 112.86 16.76 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.149 0.98 . . . . 0.0 108.61 169.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -122.46 126.25 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 106.617 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -127.86 108.46 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -172.415 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -69.18 95.05 0.72 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 124.068 0.947 . . . . 0.0 109.154 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 t -67.65 131.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 164.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.3 113.19 12.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.96 -164.43 38.08 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -144.14 15.22 1.69 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.751 1.275 . . . . 0.0 112.891 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.267 32.8 mt 40.74 70.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.612 1 C-N-CA 133.15 4.58 . . . . 0.0 113.362 171.827 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -109.06 -174.98 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 127.85 2.46 . . . . 0.0 108.947 172.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.22 -10.71 60.14 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.475 -1.39 . . . . 0.0 114.559 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -5.05 45.81 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.781 -1.199 . . . . 0.0 111.646 171.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -143.67 -41.61 0.29 Allowed 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.522 -160.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -61.12 -39.44 90.03 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.638 1.108 . . . . 0.0 108.863 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.94 -50.23 5.84 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.544 1.937 . . . . 0.0 112.217 164.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -55.61 3.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.807 1.243 . . . . 0.0 109.942 -170.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tt -44.73 -33.55 1.91 Allowed 'General case' 0 CA--C 1.511 -0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 110.192 169.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -67.05 -56.59 9.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 120.074 1.306 . . . . 0.0 112.014 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.55 -26.78 65.58 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 118.662 0.665 . . . . 0.0 110.794 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -81.21 -38.06 27.62 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.483 1.113 . . . . 0.0 108.82 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -63.17 -35.85 81.66 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.724 166.727 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.16 70.21 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -54.76 29.33 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.368 1.067 . . . . 0.0 110.19 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 t80 -49.25 -60.47 2.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.041 2.137 . . . . 0.0 110.341 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.466 HG23 ' HD3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -61.87 -27.42 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.45 -173.252 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 m -78.98 -49.09 13.3 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.894 1.679 . . . . 0.0 112.228 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.4 14.56 1.2 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.866 1.667 . . . . 0.0 112.361 -164.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 t -121.79 118.0 27.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.664 1.586 . . . . 0.0 109.243 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 11.02 0.43 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.942 1.697 . . . . 0.0 111.946 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -110.21 119.03 37.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 119.619 -1.926 . . . . 0.0 106.982 -164.032 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.86 -33.91 76.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.822 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.537 ' H ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.42 140.29 31.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 178.521 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.0 mm -126.1 124.03 65.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -111.86 103.31 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 174.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 17' ' ' VAL . 9.0 tp -84.66 101.85 12.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -84.87 119.39 25.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 mt -111.81 19.98 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.546 0.338 . . . . 0.0 111.684 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -55.42 -22.43 20.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.108 1.763 . . . . 0.0 114.119 -170.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -108.67 -6.5 15.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.327 1.051 . . . . 0.0 112.914 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -92.57 135.99 26.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -130.31 -40.19 1.29 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.529 0.732 . . . . 0.0 112.214 -174.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -75.48 -78.86 0.1 Allowed 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.998 0.919 . . . . 0.0 110.25 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.8 ttp 52.91 125.32 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 0 C-N-CA 128.442 2.697 . . . . 0.0 115.363 -163.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t0 . . . . . 0 N--CA 1.451 -0.423 0 C-N-CA 126.975 2.11 . . . . 0.0 110.657 -179.848 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.9 -42.59 53.9 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 125.769 1.652 . . . . 0.0 113.115 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 62' ' ' LEU . 11.7 tp -75.78 -16.62 60.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.32 -36.64 5.86 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 118.231 -1.316 . . . . 0.0 110.631 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -52.47 -50.81 61.95 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 119.992 1.896 . . . . 0.0 110.244 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.47 -29.55 66.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.866 2.121 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.71 -28.75 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 O-C-N 121.168 -0.957 . . . . 0.0 109.899 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.62 -53.28 49.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.639 -1.288 . . . . 0.0 108.862 165.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 35' ' ' LEU . 2.3 mm -54.72 -39.06 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 125.574 1.55 . . . . 0.0 108.968 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD11 ' HE3' ' A' ' 73' ' ' LYS . 38.0 tp -63.78 -49.5 72.7 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 120.532 -1.355 . . . . 0.0 111.039 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -54.14 -35.53 62.32 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -68.86 -42.84 76.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.73 1.212 . . . . 0.0 112.099 176.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.67 72.28 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.881 0.872 . . . . 0.0 109.924 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 69' ' ' LEU . 22.1 mmtp -72.36 -33.68 67.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.279 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -53.5 -61.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.812 1.187 . . . . 0.0 108.498 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.36 -3.9 23.24 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.852 0.834 . . . . 0.0 111.88 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.06 58.04 13.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 129.53 3.443 . . . . 0.0 111.746 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.466 ' HD3' HG23 ' A' ' 39' ' ' ILE . 11.2 ptmt -141.6 -175.24 4.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.889 0.845 . . . . 0.0 111.902 -174.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -100.73 159.87 14.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.931 1.293 . . . . 0.0 107.546 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -151.9 108.15 3.42 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.4 mt -128.91 152.56 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.996 1.318 . . . . 0.0 109.025 -174.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.528 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -116.94 176.55 5.07 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 119.096 0.862 . . . . 0.0 108.933 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.26 169.36 16.03 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.77 -0.581 . . . . 0.0 110.34 -167.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m 43.5 64.61 1.19 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.936 1.695 . . . . 0.0 112.843 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.3 111.79 6.92 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.378 2.671 . . . . 0.0 108.292 177.155 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -69.17 158.24 35.3 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 156.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.45 -50.16 42.22 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.108 0.963 . . . . 0.0 111.067 -172.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.7 m -57.92 -68.19 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.999 2.12 . . . . 0.0 110.776 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.538 ' HA ' HD12 ' A' ' 91' ' ' ILE . 33.6 mm -52.87 -50.34 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.661 1.184 . . . . 0.0 109.899 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -42.14 -57.66 2.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 110.955 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -54.17 30.14 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.218 1.407 . . . . 0.0 110.292 -175.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 88' ' ' ILE . 46.5 mt -52.55 -44.65 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.285 2.234 . . . . 0.0 109.33 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 103' ' ' ILE . 16.0 mt -66.63 -33.68 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 120.858 -1.151 . . . . 0.0 109.991 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -24.05 55.01 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 168.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 16.8 mt -53.74 -68.18 0.2 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 120.951 1.705 . . . . 0.0 109.939 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -85.47 23.01 1.42 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.352 0.661 . . . . 0.0 111.212 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 50.76 34.67 10.47 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 124.663 1.185 . . . . 0.0 112.204 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 100' ' ' ILE . 87.0 mt -67.27 -26.86 66.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -64.76 -3.87 3.74 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.044 2.138 . . . . 0.0 113.479 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -106.32 -0.12 24.59 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 118.027 -2.921 . . . . 0.0 112.559 166.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.414 HD12 HD23 ' A' ' 97' ' ' LEU . 11.8 mt -111.13 -70.97 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -175.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.02 10.43 4.31 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.5 1.12 . . . . 0.0 112.128 173.571 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.574 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 6.7 ttpt 45.2 -153.4 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.025 0.93 . . . . 0.0 109.23 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.574 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.93 161.46 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 127.138 2.175 . . . . 0.0 107.586 171.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -139.36 157.03 46.58 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -42.54 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 164.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 p -136.06 164.94 26.85 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.16 -33.04 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.512 1.525 . . . . 0.0 110.573 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.55 -8.55 48.2 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.206 1.003 . . . . 0.0 112.31 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.08 9.72 28.3 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.988 1.267 . . . . 0.0 113.57 173.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.28 177.033 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -136.45 162.78 32.12 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.496 1.118 . . . . 0.0 111.541 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -141.89 95.98 2.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 128.097 2.559 . . . . 0.0 107.7 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 92.99 8.26 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 17' ' ' VAL . 10.1 mt -88.99 122.23 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 124.425 1.09 . . . . 0.0 108.196 -173.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 11' ' ' GLN . 13.8 t -139.87 118.22 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 124.997 1.319 . . . . 0.0 109.661 -169.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.8 -12.47 60.7 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' HG12 ' A' ' 9' ' ' VAL . 1.0 OUTLIER 38.25 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 130.954 3.702 . . . . 0.0 113.231 -174.607 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.96 117.27 11.91 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.868 1.213 . . . . 0.0 108.918 147.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 54.7 30.22 13.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.433 2.293 . . . . 0.0 115.073 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -147.89 114.55 6.02 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.761 -1.212 . . . . 0.0 107.809 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 88.83 5.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.27 151.88 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 38' ' ' PHE . 83.8 t -139.27 107.46 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -76.7 94.95 3.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.499 ' HB ' HD23 ' A' ' 51' ' ' LEU . 53.0 t -68.5 142.0 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -147.92 110.76 4.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.26 -162.06 34.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.89 103.29 3.88 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 54' ' ' VAL . 44.9 mt -76.65 111.64 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -161.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -144.92 -162.01 1.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 164.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -7.48 1.56 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -98.52 4.27 48.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 120.551 1.523 . . . . 0.0 112.576 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -148.52 -28.81 0.3 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 118.404 -0.807 . . . . 0.0 112.733 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -57.28 -44.66 84.22 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 120.501 1.501 . . . . 0.0 108.15 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.8 -27.67 52.4 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 126.413 1.885 . . . . 0.0 113.539 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.05 -43.91 3.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.784 2.034 . . . . 0.0 109.593 -170.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 64' ' ' THR . 1.0 OUTLIER -51.67 -33.82 35.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.837 -1.164 . . . . 0.0 109.397 167.098 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.43 -54.42 24.41 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 118.424 0.556 . . . . 0.0 111.965 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.75 -32.73 74.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.133 0.879 . . . . 0.0 110.909 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -83.99 -34.55 24.33 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -170.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.599 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -60.37 -44.44 95.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.022 164.026 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -56.84 -48.32 78.31 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.451 1.023 . . . . 0.0 109.164 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -51.79 -53.18 42.79 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 125.189 1.396 . . . . 0.0 110.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 17' ' ' VAL . 1.1 t80 -57.13 -56.04 26.92 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.894 1.677 . . . . 0.0 110.158 -176.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -37.59 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.617 1.967 . . . . 0.0 110.702 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -67.83 -50.95 53.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.391 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -77.96 -25.66 48.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.457 1.026 . . . . 0.0 111.146 -166.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -70.28 112.84 6.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.947 0.88 . . . . 0.0 110.505 -170.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 m -57.67 -19.38 26.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.694 0.798 . . . . 0.0 112.645 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -78.98 131.67 36.4 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -170.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -31.62 72.17 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.815 170.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -107.9 120.44 42.3 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.953 1.301 . . . . 0.0 109.356 -160.835 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 46' ' ' LYS . 1.8 mp -119.21 129.59 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 105.663 -1.976 . . . . 0.0 105.663 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.9 95.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HG ' HD21 ' A' ' 51' ' ' LEU . 6.3 tp -80.01 100.91 8.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -175.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.15 120.87 27.13 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 125.993 1.717 . . . . 0.0 108.452 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.566 HD21 ' HG ' ' A' ' 49' ' ' LEU . 1.9 mt -123.05 38.05 4.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -68.02 -27.99 67.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.1 -0.375 . . . . 0.0 111.022 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -82.81 -28.99 29.84 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.624 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 12.2 p -73.67 131.55 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.325 1.42 . . . . 0.0 111.596 -169.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 m -110.92 -27.03 8.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.577 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -110.61 145.32 38.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.105 1.32 . . . . 0.0 110.472 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 ttp -149.98 116.61 5.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.249 1.42 . . . . 0.0 108.976 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 N--CA 1.45 -0.468 0 C-N-CA 127.032 2.133 . . . . 0.0 109.025 170.74 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.426 0.155 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.61 -34.85 73.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 124.222 0.915 . . . . 0.0 112.221 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 62' ' ' LEU . 5.0 mt -68.91 -53.83 18.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.428 1.114 . . . . 0.0 110.265 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.96 -29.41 59.12 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.97 -0.905 . . . . 0.0 111.628 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.558 HG21 HD23 ' A' ' 31' ' ' LEU . 99.5 m -58.74 -53.86 53.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.405 1.103 . . . . 0.0 109.485 172.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.75 -33.97 67.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.603 1.547 . . . . 0.0 110.933 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.88 -39.04 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.687 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.18 -55.54 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.854 1.207 . . . . 0.0 108.684 167.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.599 HG21 HD12 ' A' ' 35' ' ' LEU . 3.4 mm -55.34 -45.48 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.764 0.825 . . . . 0.0 109.138 -171.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.2 -54.79 41.66 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.496 0.718 . . . . 0.0 110.923 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -55.0 -30.97 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.386 0.275 . . . . 0.0 111.019 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.79 23.91 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.74 2.016 . . . . 0.0 111.639 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.64 -44.05 18.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.771 1.228 . . . . 0.0 111.911 172.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.15 -41.95 80.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 116.857 -1.544 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.93 -50.02 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 120.074 1.307 . . . . 0.0 109.168 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.86 -8.09 55.44 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -172.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.89 69.55 1.33 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 128.691 3.043 . . . . 0.0 110.475 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -145.72 169.69 17.99 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.83 107.98 19.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 130.057 3.343 . . . . 0.0 106.736 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -108.0 112.36 24.9 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 108.827 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.45 153.29 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 124.106 0.963 . . . . 0.0 108.433 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.6 173.45 6.61 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.901 0.88 . . . . 0.0 109.959 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.66 160.88 26.18 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.86 0.864 . . . . 0.0 111.243 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 m 59.62 50.45 7.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.56 1.544 . . . . 0.0 113.12 167.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 103' ' ' ILE . 9.1 mt -58.25 97.78 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 131.379 3.871 . . . . 0.0 112.289 -177.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -72.18 87.33 1.09 Allowed 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 127.153 2.181 . . . . 0.0 107.035 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 24.42 -76.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.124 3.37 . . . . 0.0 115.065 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.19 -66.37 0.36 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.639 1.176 . . . . 0.0 110.993 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.432 ' O ' HD23 ' A' ' 92' ' ' LEU . 3.8 mp -48.47 -58.63 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 125.291 1.436 . . . . 0.0 107.869 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.457 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 1.3 t -34.48 -60.38 0.42 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.723 1.601 . . . . 0.0 113.406 173.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -54.34 21.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.99 1.268 . . . . 0.0 110.943 173.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.572 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 67.9 mt -67.33 -23.67 30.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 124.695 1.198 . . . . 0.0 108.957 -161.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 88' ' ' ILE . 1.6 mm? -77.59 -44.28 28.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.9 -1.75 . . . . 0.0 108.918 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' A' ' 89' ' ' SER . 2.3 mppt? -70.79 -28.52 64.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 95' ' ' THR 0.306 0.1 OUTLIER -56.24 -36.59 68.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.871 1.269 . . . . 0.0 109.575 -173.943 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.646 ' N ' HD12 ' A' ' 94' ' ' LEU . 1.3 p -98.78 7.9 45.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.595 2.758 . . . . 0.0 112.829 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m170 59.08 22.48 10.57 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 120.256 -1.528 . . . . 0.0 113.427 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 100' ' ' ILE . 84.3 mt -71.15 -13.64 62.01 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.495 -1.378 . . . . 0.0 110.288 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.91 -14.96 25.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.86 2.064 . . . . 0.0 114.76 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -111.17 -0.83 16.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.774 0.83 . . . . 0.0 112.232 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 97' ' ' LEU . 81.2 mt -96.47 -38.4 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.332 1.053 . . . . 0.0 108.62 177.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -111.22 11.05 21.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.462 1.905 . . . . 0.0 112.234 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 9.1 ttpp 47.02 -159.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -157.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.568 HD11 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -164.87 168.37 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 126.525 1.93 . . . . 0.0 106.997 157.407 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.2 p -136.83 168.88 18.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 165.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.37 -45.27 22.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 157.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 p -134.88 156.89 48.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.195 1.398 . . . . 0.0 110.703 -163.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.66 -25.22 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.092 0.957 . . . . 0.0 110.901 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -67.5 -5.45 15.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.773 2.429 . . . . 0.0 112.992 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.55 13.22 8.73 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.734 0.813 . . . . 0.0 111.929 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 116.642 -1.647 . . . . 0.0 110.423 175.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -144.17 167.4 22.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.126 2.97 . . . . 0.0 110.128 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -147.5 114.07 6.0 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.787 1.635 . . . . 0.0 108.39 -171.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.65 83.42 2.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.779 1.632 . . . . 0.0 108.266 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 mt -82.08 142.23 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.7 1.2 . . . . 0.0 108.676 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -141.71 141.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 125.865 1.666 . . . . 0.0 108.272 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -129.65 -136.02 0.22 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.899 1.279 . . . . 0.0 108.425 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.57 -2.99 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.677 2.391 . . . . 0.0 116.864 -169.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.49 27.65 7.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.183 2.193 . . . . 0.0 109.526 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 59.73 -16.71 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.672 2.789 . . . . 0.0 116.384 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 29.4 mttp -98.76 169.05 9.75 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 128.452 2.701 . . . . 0.0 108.942 164.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.45 115.42 27.24 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 129.317 3.047 . . . . 0.0 107.446 164.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.58 125.67 71.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -131.04 104.09 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -169.682 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 mtp-105 -72.04 101.18 2.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.17 133.23 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 165.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -124.83 113.65 18.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.42 166.48 14.45 Favored Glycine 0 N--CA 1.465 0.574 0 CA-C-N 118.887 0.767 . . . . 0.0 111.302 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.9 179.1 6.78 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.511 1.124 . . . . 0.0 110.287 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.84 83.94 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 122.328 1.061 . . . . 0.0 108.607 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.8 -176.28 2.89 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.488 1.515 . . . . 0.0 108.463 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.44 -12.15 3.6 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.144 -1.597 . . . . 0.0 114.827 163.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -10.65 49.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 120.264 1.393 . . . . 0.0 111.521 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -133.71 -48.3 0.81 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.254 -164.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -53.87 -37.15 63.4 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 120.195 1.361 . . . . 0.0 110.017 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -26.34 8.16 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.479 1.111 . . . . 0.0 113.497 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -120.26 -49.87 2.26 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.767 2.027 . . . . 0.0 111.588 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -42.56 -35.53 1.11 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.211 1.404 . . . . 0.0 110.849 162.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -63.16 -65.15 0.73 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 119.323 0.965 . . . . 0.0 110.095 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.05 -20.55 66.21 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.587 0.63 . . . . 0.0 112.103 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -81.62 -41.56 21.3 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 26.0 mt -67.56 -28.93 68.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.995 0.918 . . . . 0.0 112.886 170.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -55.27 25.97 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.865 1.266 . . . . 0.0 108.6 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -45.54 86.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.148 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -47.1 -57.85 4.64 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.57 1.548 . . . . 0.0 110.769 178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -63.21 -30.69 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-N 118.494 0.588 . . . . 0.0 112.182 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -84.77 -10.34 57.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.216 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -109.37 -27.77 9.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.656 1.571 . . . . 0.0 112.091 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 39' ' ' ILE . 13.8 t -65.26 115.89 6.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.144 -0.973 . . . . 0.0 110.001 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 4.37 4.69 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 120.487 -1.383 . . . . 0.0 114.243 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.08 149.01 23.4 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 119.141 -2.225 . . . . 0.0 108.472 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -87.34 -1.38 57.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.49 123.17 35.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 -172.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 46' ' ' LYS . 1.7 mp -124.12 125.52 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.47 -2.419 . . . . 0.0 104.47 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.99 106.84 19.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 HG13 ' A' ' 17' ' ' VAL . 5.3 tp -87.65 97.68 11.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.175 0.99 . . . . 0.0 108.397 -175.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.08 114.05 13.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.52 16.13 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 110.595 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.45 -1.68 2.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.905 1.282 . . . . 0.0 113.634 -165.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.02 -4.56 4.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.435 1.494 . . . . 0.0 113.307 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.31 130.99 35.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.42 -50.29 2.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -98.41 150.3 21.76 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.879 0.871 . . . . 0.0 108.753 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.0 ttm -151.35 112.31 4.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.875 2.07 . . . . 0.0 106.322 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 CA--C 1.534 0.343 0 O-C-N 123.635 0.585 . . . . 0.0 110.432 172.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.82 85.69 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 118.895 0.77 . . . . 0.0 114.523 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -67.78 -52.89 31.98 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 117.328 0.564 . . . . 0.0 110.475 -169.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.07 -29.03 69.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.845 -0.975 . . . . 0.0 112.629 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.3 m -58.4 -53.01 63.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 115.3 -2.286 . . . . 0.0 110.367 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.83 -37.91 60.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 122.802 2.546 . . . . 0.0 109.85 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.82 -28.34 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 O-C-N 121.45 -0.781 . . . . 0.0 110.437 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.8 -51.04 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.685 1.129 . . . . 0.0 108.818 161.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.37 -37.86 75.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.19 -55.65 32.19 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.031 -1.043 . . . . 0.0 109.092 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -57.07 -38.35 73.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.592 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -33.58 75.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 118.054 0.388 . . . . 0.0 111.604 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.3 70.46 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 109.973 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.92 -31.94 69.98 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.827 -0.546 . . . . 0.0 110.466 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -57.94 -46.49 87.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 118.973 0.806 . . . . 0.0 110.423 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.478 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 35.0 m-80 -82.31 -4.0 56.39 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.249 1.02 . . . . 0.0 112.88 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.7 61.82 4.74 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.478 1.99 . . . . 0.0 111.25 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.478 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 15.6 ptpt -153.98 -176.97 6.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.015 0.907 . . . . 0.0 112.698 -175.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.3 169.6 9.46 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.529 1.531 . . . . 0.0 111.193 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.55 107.89 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 112.734 -2.03 . . . . 0.0 109.601 -172.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mt -133.88 144.47 35.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 124.676 1.19 . . . . 0.0 109.38 -172.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.77 152.41 34.43 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -171.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -149.95 165.21 33.32 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.03 -160.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m 56.69 46.25 20.48 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.555 1.645 . . . . 0.0 112.289 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.76 101.07 1.0 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 128.705 2.802 . . . . 0.0 111.476 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -59.89 162.38 5.55 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.497 170.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -49.04 -56.48 8.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.509 1.124 . . . . 0.0 112.041 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -63.13 -58.22 7.97 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.879 0.872 . . . . 0.0 111.364 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mm -57.51 -51.77 65.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-O 116.48 -1.724 . . . . 0.0 107.494 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -37.88 -56.31 1.12 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.654 1.57 . . . . 0.0 109.904 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -47.57 78.18 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.429 1.092 . . . . 0.0 112.112 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.582 ' C ' HD12 ' A' ' 94' ' ' LEU . 42.5 mt -70.64 11.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.789 2.436 . . . . 0.0 111.486 176.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -109.2 -39.49 5.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 118.664 -2.522 . . . . 0.0 109.251 160.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.71 63.64 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.022 -1.049 . . . . 0.0 113.444 174.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.582 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -55.38 -34.21 64.13 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.571 1.948 . . . . 0.0 114.678 -172.26 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.497 ' H ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -120.06 21.41 11.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.848 1.259 . . . . 0.0 110.073 176.595 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.7 m80 56.06 40.97 30.18 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.664 1.185 . . . . 0.0 110.396 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.738 HD23 HD12 ' A' ' 100' ' ' ILE . 34.8 mt -79.34 -23.71 43.24 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 109.821 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.67 -5.25 3.8 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.038 2.135 . . . . 0.0 114.933 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -114.36 1.75 14.52 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.118 1.367 . . . . 0.0 112.723 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.738 HD12 HD23 ' A' ' 97' ' ' LEU . 56.9 mt -103.9 -30.02 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.703 1.201 . . . . 0.0 108.109 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 97' ' ' LEU . 2.5 m-85 -127.46 16.96 7.05 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.273 1.829 . . . . 0.0 111.465 -175.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.535 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 10.8 tttp 48.75 -160.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -165.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.562 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -171.41 154.55 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 125.47 1.508 . . . . 0.0 107.821 158.093 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.535 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 44.9 p -142.85 118.23 10.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -167.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.2 -33.66 65.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.053 -1.654 . . . . 0.0 110.532 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.3 p -136.43 162.93 31.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 123.901 0.751 . . . . 0.0 111.54 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.95 -24.81 24.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.614 1.566 . . . . 0.0 111.516 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.23 -19.84 63.95 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.958 0.903 . . . . 0.0 112.793 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.19 -2.43 56.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.719 1.145 . . . . 0.0 113.071 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.422 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.253 1.267 0 CA-C-N 119.228 0.922 . . . . 0.0 111.224 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -127.74 165.69 19.59 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.075 2.15 . . . . 0.0 110.688 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.1 mt -136.83 151.02 48.66 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.05 2.14 . . . . 0.0 105.708 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.76 83.61 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -74.36 128.39 36.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.1 t -139.42 131.34 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 94.4 mt-10 -133.52 98.05 4.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.66 1.184 . . . . 0.0 110.552 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -135.25 -48.84 0.72 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.463 0.705 . . . . 0.0 110.157 168.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -80.49 59.4 3.5 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.422 1.106 . . . . 0.0 110.258 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 54.57 10.01 0.31 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.346 2.658 . . . . 0.0 115.321 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HD3' HG21 ' A' ' 48' ' ' VAL . 13.1 ttmt -140.86 162.56 35.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.041 -2.287 . . . . 0.0 106.386 -165.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . . . -112.08 92.16 3.93 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.011 1.324 . . . . 0.0 108.695 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.55 147.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.624 HG13 HD12 ' A' ' 49' ' ' LEU . 1.2 p -148.96 112.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 118.268 0.485 . . . . 0.0 109.807 170.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -81.42 96.43 7.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.419 1.088 . . . . 0.0 108.833 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.4 123.9 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 109.065 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.44 115.88 15.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.214 1.805 . . . . 0.0 108.724 -169.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.32 167.09 25.68 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -83.88 173.66 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.497 1.119 . . . . 0.0 111.312 -161.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.56 40.91 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 121.622 0.725 . . . . 0.0 109.749 -164.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -90.09 -172.86 3.64 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 117.821 -3.049 . . . . 0.0 107.641 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.61 -0.16 0.25 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.156 2.182 . . . . 0.0 114.994 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -95.03 -7.84 38.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 127.348 2.259 . . . . 0.0 113.069 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -148.84 -41.23 0.15 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.145 -162.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.1 p -56.76 -36.3 69.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.384 0.993 . . . . 0.0 108.909 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -24.76 63.4 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.389 1.475 . . . . 0.0 113.313 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -85.61 -60.79 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.402 HD23 HG21 ' A' ' 64' ' ' THR . 2.5 tt -42.22 -32.33 0.48 Allowed 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 127.956 2.503 . . . . 0.0 111.342 169.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.4 ttpt -64.83 -54.46 30.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 118.573 0.624 . . . . 0.0 111.362 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 4.5 pt-20 -71.31 -6.23 38.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.447 1.021 . . . . 0.0 113.152 -170.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.52 -46.05 4.67 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 125.952 1.701 . . . . 0.0 106.482 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.12 -35.26 80.03 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.221 -0.924 . . . . 0.0 111.971 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.87 -13.13 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.106 -0.996 . . . . 0.0 111.313 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' THR . 2.3 m-80 -86.41 -55.95 3.66 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 120.932 -1.105 . . . . 0.0 108.959 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.517 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.7 t80 -40.05 -54.82 2.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 128.314 2.646 . . . . 0.0 111.181 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.46 -20.34 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -77.64 -24.78 49.42 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.996 165.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 37' ' ' ASN . 15.4 t -129.24 56.83 1.67 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.943 1.701 . . . . 0.0 109.66 -167.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -133.5 -39.65 0.9 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.004 1.321 . . . . 0.0 112.537 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m 51.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.61 133.69 36.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 7.25 1.76 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 113.51 5.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 120.533 1.515 . . . . 0.0 109.575 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.66 132.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.516 HG21 ' HD3' ' A' ' 14' ' ' LYS . 94.2 t -121.55 97.86 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 C-N-CA 127.434 2.294 . . . . 0.0 106.537 174.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.624 HD12 HG13 ' A' ' 17' ' ' VAL . 13.4 tp -85.84 93.55 8.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 113.047 -1.888 . . . . 0.0 108.476 -174.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -89.92 121.65 32.22 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 125.331 1.453 . . . . 0.0 112.328 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -122.78 29.61 6.77 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -165.162 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 13.1 p -69.18 -5.54 23.21 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.714 -1.241 . . . . 0.0 112.938 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -122.1 -6.25 8.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 120.573 1.533 . . . . 0.0 114.089 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 8.7 p -72.28 -177.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.591 1.541 . . . . 0.0 108.76 157.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -150.13 -41.0 0.13 Allowed 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.876 -1.14 . . . . 0.0 111.469 152.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.07 124.97 41.22 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -168.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.7 ttm -133.42 124.34 26.94 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 125.45 1.5 . . . . 0.0 110.176 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.54 0.572 0 C-N-CA 127.832 2.453 . . . . 0.0 109.72 174.786 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.24 -32.32 6.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 125.074 1.321 . . . . 0.0 113.381 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.12 -52.19 50.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.857 1.263 . . . . 0.0 110.057 -167.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -9.1 44.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 123.941 0.782 . . . . 0.0 113.226 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.402 HG21 HD23 ' A' ' 31' ' ' LEU . 5.4 m -65.04 -51.29 62.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.868 169.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.59 -30.18 67.01 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.511 1.505 . . . . 0.0 110.816 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.6 -38.16 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 122.968 0.507 . . . . 0.0 110.773 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -57.43 -50.72 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 119.359 0.981 . . . . 0.0 109.339 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mm -59.32 -41.7 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.894 0.878 . . . . 0.0 108.762 -172.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -55.95 27.76 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.225 1.01 . . . . 0.0 111.18 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -47.03 -41.86 17.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.918 0.487 . . . . 0.0 110.479 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -34.13 77.11 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.46 76.41 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.312 1.445 . . . . 0.0 109.522 170.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -73.76 -28.09 61.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.95 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.86 -59.77 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 C-N-CA 124.385 1.074 . . . . 0.0 108.945 165.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -72.02 -5.13 32.84 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.04 62.67 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.751 1.167 . . . . 0.0 112.92 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.71 174.43 10.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.253 1.527 . . . . 0.0 112.343 167.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.9 162.64 13.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.82 1.248 . . . . 0.0 109.655 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -145.3 133.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.717 1.607 . . . . 0.0 108.612 -175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.696 ' C ' HD13 ' A' ' 81' ' ' LEU . 65.8 mt -153.06 148.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 129.079 2.951 . . . . 0.0 105.891 -170.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -125.77 172.53 9.75 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.414 0.686 . . . . 0.0 110.148 -178.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -155.6 152.47 28.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.609 0.568 . . . . 0.0 111.382 -160.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 52' ' ' SER . 5.0 m 54.38 55.8 7.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.148 2.579 . . . . 0.0 115.33 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.877 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -61.82 119.84 9.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 130.551 3.541 . . . . 0.0 110.654 178.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -85.62 159.29 19.88 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.548 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.09 -14.58 61.99 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -73.28 -79.71 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 161.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.1 mm -40.91 -58.16 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 C-N-CA 128.213 2.605 . . . . 0.0 110.079 -173.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 t -45.71 -59.13 2.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.091 1.756 . . . . 0.0 110.268 -171.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -60.03 -43.48 95.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.393 -0.817 . . . . 0.0 110.609 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.4 -36.0 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.786 1.235 . . . . 0.0 110.729 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.93 -45.41 74.39 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.814 -1.179 . . . . 0.0 110.126 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.54 75.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 117.966 -1.016 . . . . 0.0 113.331 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.19 -55.95 9.13 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.093 1.757 . . . . 0.0 110.553 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.32 8.75 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.359 1.864 . . . . 0.0 112.503 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.7 m80 52.96 27.42 5.55 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.103 1.319 . . . . 0.0 113.389 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 100' ' ' ILE . 87.1 mt -73.72 -19.79 60.7 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.687 1.195 . . . . 0.0 110.518 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.52 -6.69 5.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.91 2.084 . . . . 0.0 114.497 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.49 6.18 7.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.674 1.99 . . . . 0.0 111.232 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.462 HD12 HD23 ' A' ' 97' ' ' LEU . 71.0 mt -107.56 -46.04 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.733 1.613 . . . . 0.0 107.492 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.59 ' HB2' HD21 ' A' ' 81' ' ' LEU . 1.8 m-30 -104.31 13.43 32.12 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 126.169 1.788 . . . . 0.0 109.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' HG23 ' A' ' 80' ' ' ILE . 6.6 ttpp 46.47 -159.6 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.108 0.867 . . . . 0.0 109.689 -161.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.584 HG12 HD21 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -167.89 163.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.077 2.151 . . . . 0.0 105.535 152.417 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.5 p -139.0 143.32 38.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.14 -33.2 74.94 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.81 172.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.5 p -141.55 166.6 24.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.028 0.831 . . . . 0.0 111.979 166.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.7 -23.53 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 126.419 1.888 . . . . 0.0 112.394 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.76 1.27 50.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.127 1.371 . . . . 0.0 112.016 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.8 7.44 37.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.299 0.954 . . . . 0.0 113.084 161.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 119.287 0.949 . . . . 0.0 110.121 -178.634 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 31' ' ' LEU . 2.6 tm? . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -151.21 168.38 24.88 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.876 2.07 . . . . 0.0 110.84 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 mt -145.9 105.73 3.99 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.131 1.332 . . . . 0.0 113.083 -165.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 3.6 t70 -85.45 67.96 10.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.202 1.001 . . . . 0.0 111.56 -175.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 mt -70.41 127.33 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 120.685 -1.259 . . . . 0.0 109.119 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.7 t -141.36 127.27 19.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -102.84 94.97 5.87 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -141.26 -37.1 0.43 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 28.12 1.17 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.258 0.936 . . . . 0.0 111.703 -176.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.06 14.73 9.77 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.827 1.651 . . . . 0.0 112.78 -169.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HD2' HG22 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.73 158.62 41.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 129.646 3.178 . . . . 0.0 107.131 176.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.51 88.38 5.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.462 1.905 . . . . 0.0 107.412 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.57 154.29 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.663 HG13 HD12 ' A' ' 49' ' ' LEU . 1.1 p -150.23 104.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 22.3 mtp180 -81.58 98.92 8.56 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 t -60.98 139.45 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -125.24 135.9 53.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.97 167.72 12.8 Favored Glycine 0 C--O 1.224 -0.476 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -173.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -121.28 128.89 52.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.563 HD12 HG11 ' A' ' 54' ' ' VAL . 57.8 mt -95.23 117.05 38.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 122.958 1.361 . . . . 0.0 108.878 -157.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -136.14 178.61 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.58 0.11 0.36 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.085 1.354 . . . . 0.0 113.758 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.52 -13.61 34.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.105 1.762 . . . . 0.0 113.035 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -138.2 -36.84 0.58 Allowed 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 117.798 -1.096 . . . . 0.0 111.948 -163.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -49.46 -48.35 47.73 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.39 1.076 . . . . 0.0 108.816 173.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.03 -45.16 1.19 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 129.343 3.057 . . . . 0.0 113.348 169.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.98 -46.09 6.03 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 109.538 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD12 HD21 ' A' ' 4' ' ' LEU . 3.7 tt -42.9 -39.65 2.63 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.624 1.17 . . . . 0.0 110.177 165.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.1 ttpt -60.16 -59.17 5.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 123.918 0.761 . . . . 0.0 111.786 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 11.0 pt-20 -66.83 -26.86 67.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.869 0.759 . . . . 0.0 110.863 -172.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.94 -41.57 22.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.348 1.059 . . . . 0.0 109.032 -175.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.0 -41.56 87.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 110.807 165.407 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -61.04 -44.27 97.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.873 0.76 . . . . 0.0 109.941 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.24 -54.2 49.6 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.12 0.568 . . . . 0.0 110.978 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.9 t80 -51.57 -46.93 63.63 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.955 1.702 . . . . 0.0 111.684 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mt -69.41 -25.64 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.778 -1.201 . . . . 0.0 110.524 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -40.43 69.24 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.326 1.421 . . . . 0.0 110.228 173.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -87.21 -48.87 7.69 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.609 0.764 . . . . 0.0 111.149 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.83 125.91 25.49 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.722 0.773 . . . . 0.0 110.625 -158.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -75.25 -25.08 57.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.244 1.417 . . . . 0.0 111.59 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -82.32 120.36 25.31 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.68 1.22 5.57 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 103.46 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.399 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.84 130.92 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 126.587 1.955 . . . . 0.0 106.275 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -128.48 99.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 106.26 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.663 HD12 HG13 ' A' ' 17' ' ' VAL . 6.6 tp -89.66 88.3 7.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.892 -170.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.22 101.1 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.53 11.02 4.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 120.112 -1.618 . . . . 0.0 111.147 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -53.38 -15.83 1.17 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -155.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.9 m -98.26 -36.03 10.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 119.989 -1.694 . . . . 0.0 111.877 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG11 HD12 ' A' ' 23' ' ' ILE . 4.0 t -55.7 110.61 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.761 1.624 . . . . 0.0 109.642 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -97.24 -48.42 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.565 -0.709 . . . . 0.0 110.068 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -87.53 146.81 25.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.281 0.363 . . . . 0.0 110.609 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.413 ' HB2' ' CD1' ' A' ' 88' ' ' ILE . 49.4 ttm -148.61 117.89 6.87 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.882 1.273 . . . . 0.0 109.036 170.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 162.637 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.42 0.629 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -47.11 -69.56 0.86 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 127.348 2.404 . . . . 0.0 110.319 171.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.99 -40.32 76.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.457 -1.025 . . . . 0.0 112.381 -171.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 -16.36 52.52 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.509 -1.162 . . . . 0.0 113.304 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 85.9 m -76.01 -46.47 29.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.026 -2.212 . . . . 0.0 105.026 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -38.56 73.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.971 0.805 . . . . 0.0 109.102 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 t -65.38 -33.71 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.366 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.64 -54.44 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.133 1.373 . . . . 0.0 109.759 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -41.74 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 129.289 3.036 . . . . 0.0 109.364 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.777 HD21 ' HE2' ' A' ' 73' ' ' LYS . 1.5 tm? -64.16 -54.99 25.12 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 120.4 -1.437 . . . . 0.0 111.776 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -51.7 -41.78 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.238 -0.289 . . . . 0.0 110.288 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.09 -43.05 86.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.431 1.492 . . . . 0.0 111.89 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.58 -54.64 30.21 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.99 1.716 . . . . 0.0 111.12 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.777 ' HE2' HD21 ' A' ' 69' ' ' LEU . 45.9 mmtt -64.68 -42.24 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.449 -177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -53.54 -46.57 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.608 1.163 . . . . 0.0 110.162 173.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -78.66 -8.65 58.89 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.37 63.23 4.45 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 125.813 1.673 . . . . 0.0 111.107 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -149.62 174.33 12.68 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.81 1.244 . . . . 0.0 110.021 171.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -96.79 170.74 8.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.318 1.047 . . . . 0.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.67 116.9 5.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.327 1.451 . . . . 0.0 108.39 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.9 mt -133.14 154.05 38.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.28 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.49 154.04 30.04 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.414 0.685 . . . . 0.0 110.151 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.83 164.79 29.29 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 125.241 1.416 . . . . 0.0 112.502 -171.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m 74.28 30.4 1.18 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.551 1.941 . . . . 0.0 114.855 163.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -53.53 105.6 0.14 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 128.116 2.566 . . . . 0.0 113.338 -171.131 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -70.28 158.96 34.94 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.855 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -46.84 -45.61 20.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.198 1.399 . . . . 0.0 111.091 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -68.24 -71.15 0.22 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.501 1.521 . . . . 0.0 110.342 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 57' ' ' MET . 37.1 mm -48.52 -54.73 4.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 C-N-CA 125.053 1.341 . . . . 0.0 108.824 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.474 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 8.7 t -39.07 -60.42 0.88 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.736 1.614 . . . . 0.0 108.922 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -54.8 -54.85 36.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.738 -1.125 . . . . 0.0 111.145 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 58.6 mt -52.31 -33.33 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.599 1.96 . . . . 0.0 109.884 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.795 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.9 mm? -69.09 -49.72 54.67 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 119.713 -1.867 . . . . 0.0 110.61 171.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -60.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.182 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 11.3 mt -52.84 -54.67 31.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.695 1.598 . . . . 0.0 109.917 -178.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.19 14.6 23.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.657 0.783 . . . . 0.0 110.943 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.0 m170 52.49 28.94 6.43 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.044 1.738 . . . . 0.0 113.288 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 100' ' ' ILE . 74.9 mt -68.31 -21.32 64.77 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 120.661 -1.275 . . . . 0.0 110.984 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.04 -11.27 12.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.365 1.466 . . . . 0.0 114.429 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 12.52 10.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.077 1.751 . . . . 0.0 111.758 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.842 HD12 HD23 ' A' ' 97' ' ' LEU . 80.8 mt -106.07 -46.98 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.594 1.958 . . . . 0.0 106.838 168.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.684 ' CE2' HD22 ' A' ' 97' ' ' LEU . 3.0 m-85 -108.23 15.26 24.27 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 126.991 2.116 . . . . 0.0 112.039 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.472 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 5.8 tttp 51.42 -168.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.277 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.795 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -163.16 159.6 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.319 -0.863 . . . . 0.0 109.072 157.443 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.472 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 25.2 p -140.73 126.03 18.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.239 0.472 . . . . 0.0 109.768 -170.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -62.1 -37.11 83.85 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 120.903 -1.123 . . . . 0.0 110.55 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.3 p -141.25 169.58 17.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.083 1.353 . . . . 0.0 108.591 -172.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.439 HG22 ' HD2' ' A' ' 14' ' ' LYS . 9.5 p -59.04 -24.0 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 174.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.5 -8.23 59.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -8.17 52.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.947 0.794 . . . . 0.0 111.21 167.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 123.963 0.905 . . . . 0.0 113.266 -171.336 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.235 0.327 0 CA-C-O 118.461 -0.78 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -142.56 159.05 43.0 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.502 1.921 . . . . 0.0 110.961 -170.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 mt -139.85 129.6 24.57 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.689 1.596 . . . . 0.0 108.245 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.72 84.54 2.29 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.124 0.97 . . . . 0.0 109.592 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.45 143.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 125.215 1.406 . . . . 0.0 108.512 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.41 139.16 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -129.62 47.31 2.51 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.839 0.856 . . . . 0.0 110.144 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -67.25 173.77 3.67 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.731 1.212 . . . . 0.0 111.139 168.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 40.22 -94.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.839 2.856 . . . . 0.0 112.124 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.38 41.94 0.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.372 1.869 . . . . 0.0 109.316 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HD3' HG21 ' A' ' 48' ' ' VAL . 19.3 ttmm -151.78 144.15 24.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 119.353 -2.092 . . . . 0.0 109.803 176.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.43 9.93 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.175 1.79 . . . . 0.0 109.339 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -112.34 118.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -169.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.637 HG13 HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -124.38 111.89 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 C-N-CA 123.463 0.705 . . . . 0.0 110.372 -167.246 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.04 102.77 7.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 125.076 1.35 . . . . 0.0 108.341 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.31 143.46 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 170.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HA ' ' HB3' ' A' ' 53' ' ' SER . 29.9 mt-30 -130.85 130.56 43.76 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 127.276 2.23 . . . . 0.0 107.883 173.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.63 -177.11 16.72 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.413 1.483 . . . . 0.0 109.523 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.9 m-20 -129.19 109.42 11.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 126.358 1.863 . . . . 0.0 106.699 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.94 134.98 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -173.02 -175.61 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -162.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.25 63.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.281 1.433 . . . . 0.0 112.847 172.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -8.32 59.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -134.61 -49.67 0.77 Allowed 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 115.616 -2.135 . . . . 0.0 111.403 -160.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -47.6 -51.49 21.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.611 2.005 . . . . 0.0 109.628 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -48.14 -30.85 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.962 2.905 . . . . 0.0 114.952 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -60.49 1.52 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.573 1.549 . . . . 0.0 109.746 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.272 16.9 tp -29.31 -42.7 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 129.838 3.255 . . . . 0.0 112.294 169.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmpt? -59.88 -47.6 85.11 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -33.3 75.48 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.782 0.833 . . . . 0.0 109.066 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -82.29 -45.1 15.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -167.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.659 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -63.27 -40.77 98.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.952 0.901 . . . . 0.0 112.354 171.039 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.64 -50.12 71.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.8 -43.29 99.18 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 122.114 -0.366 . . . . 0.0 110.859 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.9 t80 -53.08 -50.35 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.537 1.135 . . . . 0.0 109.907 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.8 mt -60.1 -31.78 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.4 -0.809 . . . . 0.0 112.73 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.1 t -72.24 -28.18 62.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.309 0.959 . . . . 0.0 109.776 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.44 0.22 4.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -153.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -92.41 126.93 37.71 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.8 -5.3 50.33 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.001 -1.062 . . . . 0.0 112.488 172.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 128.87 34.13 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.79 -21.64 66.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.337 168.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 108.23 19.19 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.627 1.103 . . . . 0.0 108.857 -168.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.94 134.91 39.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 126.648 1.979 . . . . 0.0 106.237 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.557 HG21 ' HD3' ' A' ' 14' ' ' LYS . 99.5 t -128.18 97.83 4.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 127.476 2.311 . . . . 0.0 105.107 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.637 HD12 HG13 ' A' ' 17' ' ' VAL . 10.6 tp -79.75 102.93 9.32 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.409 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.65 100.08 12.54 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.633 1.173 . . . . 0.0 109.063 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.04 8.94 9.39 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.887 -1.054 . . . . 0.0 113.424 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -58.73 -3.66 0.34 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -162.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' GLN . 8.1 t -101.77 -34.64 9.36 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.191 -1.568 . . . . 0.0 111.568 169.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 22' ' ' ASP . 2.2 t -68.12 129.37 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -127.22 -30.99 2.6 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 117.613 -1.184 . . . . 0.0 112.147 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -77.1 -95.8 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 111.355 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.405 23.1 ttp 78.56 102.07 0.07 Allowed 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 127.125 2.17 . . . . 0.0 116.769 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.234 0.281 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.357 175.256 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.34 -20.32 67.15 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 118.669 -1.073 . . . . 0.0 113.424 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 91' ' ' ILE . 7.6 mt -61.16 -57.4 12.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.407 1.104 . . . . 0.0 109.232 173.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.84 -29.85 65.3 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-O 118.007 -1.44 . . . . 0.0 112.987 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.1 m -51.65 -54.25 29.97 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.538 1.669 . . . . 0.0 109.583 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.27 -33.72 76.48 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 119.598 1.09 . . . . 0.0 110.594 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -66.74 -37.15 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 122.148 -0.345 . . . . 0.0 110.152 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.02 -51.84 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.186 -0.946 . . . . 0.0 109.018 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.659 HG21 HD12 ' A' ' 35' ' ' LEU . 3.3 mm -57.74 -40.6 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.06 -55.26 36.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 121.261 -0.899 . . . . 0.0 110.761 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -50.32 -38.0 39.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.065 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.04 -44.32 80.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.216 1.407 . . . . 0.0 111.049 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.82 47.23 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.171 1.388 . . . . 0.0 110.129 171.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -71.0 -38.22 72.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.309 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.24 -28.55 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.296 1.038 . . . . 0.0 111.854 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -99.1 -7.08 27.23 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.281 1.032 . . . . 0.0 112.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.85 62.52 6.14 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 126.816 2.151 . . . . 0.0 112.221 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -146.11 179.25 7.62 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.062 0.945 . . . . 0.0 112.358 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.3 164.8 13.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.064 1.412 . . . . 0.0 108.832 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -151.59 107.88 3.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.421 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 102' ' ' LYS . 4.6 mt -123.55 150.57 27.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -118.78 167.77 11.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.533 0.733 . . . . 0.0 109.736 178.597 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t -162.12 162.4 28.53 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.295 1.038 . . . . 0.0 109.281 -159.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.53 57.77 6.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.855 2.462 . . . . 0.0 114.049 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD21 HG12 ' A' ' 103' ' ' ILE . 3.3 mp -75.9 99.17 4.42 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 130.743 3.617 . . . . 0.0 112.557 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.21 154.94 25.94 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.743 170.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.43 -37.79 82.01 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.659 1.118 . . . . 0.0 112.572 -165.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -77.25 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.614 1.166 . . . . 0.0 110.518 166.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 91' ' ' ILE . 26.1 mm -40.38 -52.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.163 0 C-N-CA 127.633 2.373 . . . . 0.0 110.114 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 t -44.42 -63.33 0.91 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.95 1.7 . . . . 0.0 110.142 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -37.5 70.23 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 118.885 0.766 . . . . 0.0 111.308 -172.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 88' ' ' ILE . 26.1 mt -62.27 -38.08 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.414 1.485 . . . . 0.0 108.421 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' CD1' HD23 ' A' ' 84' ' ' LEU . 8.0 mt -67.97 -35.02 77.66 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 109.382 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -16.13 57.04 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 169.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.87 -69.15 0.23 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 122.231 2.287 . . . . 0.0 108.203 175.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -74.63 9.11 1.94 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.261 1.424 . . . . 0.0 111.121 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.4 m80 46.03 38.64 4.88 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.604 1.562 . . . . 0.0 111.544 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.843 HD23 HD12 ' A' ' 100' ' ' ILE . 86.0 mt -73.81 -21.09 60.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.462 1.105 . . . . 0.0 109.51 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.78 -6.26 1.68 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.82 1.648 . . . . 0.0 114.989 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.57 -0.87 8.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.435 1.494 . . . . 0.0 112.157 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.843 HD12 HD23 ' A' ' 97' ' ' LEU . 83.7 mt -96.99 -45.64 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.791 1.637 . . . . 0.0 108.407 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 1.9 m-85 -111.51 21.02 16.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.884 2.074 . . . . 0.0 110.904 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 1.4 ttpt 46.64 -157.69 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.606 1.162 . . . . 0.0 109.429 -166.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.658 HG12 HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -175.6 157.41 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 C-N-CA 127.181 2.192 . . . . 0.0 107.867 160.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.5 p -139.49 132.55 29.57 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.95 -37.79 88.49 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 118.559 -1.256 . . . . 0.0 110.123 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -141.9 173.09 11.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.503 1.521 . . . . 0.0 109.724 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.0 p -63.25 -15.67 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.656 0.782 . . . . 0.0 111.812 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -22.36 59.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.411 1.084 . . . . 0.0 110.926 174.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -0.08 54.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.469 0.708 . . . . 0.0 112.768 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.405 ' CB ' ' HZ2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.255 1.376 0 CA-C-N 119.551 1.069 . . . . 0.0 112.076 -167.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 121.638 0.732 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -137.36 157.15 47.22 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 127.018 2.127 . . . . 0.0 108.658 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.48 149.33 39.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 125.889 1.676 . . . . 0.0 107.117 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.94 88.17 2.26 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 124.818 1.324 . . . . 0.0 107.909 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.08 138.58 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.618 1.567 . . . . 0.0 108.597 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.0 t -130.68 128.18 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 124.308 1.043 . . . . 0.0 108.265 169.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -135.75 87.59 2.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 162.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -138.88 96.44 3.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 166.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 144.38 -106.49 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 1 C-N-CA 131.795 4.038 . . . . 0.0 104.666 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -155.48 25.45 0.4 Allowed 'General case' 0 C--O 1.223 -0.295 0 O-C-N 119.996 -1.69 . . . . 0.0 110.246 -165.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -150.92 158.58 44.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.563 1.545 . . . . 0.0 107.902 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.96 89.3 3.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 125.973 1.709 . . . . 0.0 109.138 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -80.74 148.98 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' HB ' HD23 ' A' ' 49' ' ' LEU . 22.8 t -139.57 105.3 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.573 1.079 . . . . 0.0 111.307 168.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -73.44 79.3 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 127.607 2.363 . . . . 0.0 109.056 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 t -71.66 132.35 33.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -141.34 78.34 1.64 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.51 1.924 . . . . 0.0 106.155 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.95 131.67 1.81 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.39 153.55 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -131.05 92.82 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.369 0.986 . . . . 0.0 109.398 -164.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -120.66 -170.05 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.905 2.082 . . . . 0.0 108.267 167.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.46 2.34 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.529 1.532 . . . . 0.0 114.92 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.98 -18.42 59.31 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.998 1.272 . . . . 0.0 112.545 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -139.7 -37.46 0.49 Allowed 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.238 -1.363 . . . . 0.0 111.588 -152.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -48.66 -44.96 38.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 121.125 1.784 . . . . 0.0 109.065 168.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -49.02 63.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 127.814 2.446 . . . . 0.0 110.273 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.47 -59.58 2.72 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 126.119 1.768 . . . . 0.0 109.953 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -30.88 -46.45 0.08 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 128.497 2.719 . . . . 0.0 109.642 170.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 4.7 ttpt -59.93 -53.56 56.43 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 118.688 -0.673 . . . . 0.0 112.447 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.417 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.2 tt0 -54.54 -43.53 72.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.527 0.731 . . . . 0.0 110.277 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.6 -42.37 61.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -167.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.697 HD12 HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -66.91 -39.99 87.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.465 1.506 . . . . 0.0 112.355 174.3 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -52.33 66.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.31 99.09 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.689 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' HD2' HD13 ' A' ' 35' ' ' LEU . 2.9 t80 -52.49 -58.18 7.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.179 1.392 . . . . 0.0 109.836 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -33.51 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 121.203 -0.936 . . . . 0.0 110.917 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -44.88 90.72 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.214 0.915 . . . . 0.0 110.364 174.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -77.75 -52.06 9.54 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.804 -0.56 . . . . 0.0 110.316 -172.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 t -48.91 129.24 17.03 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.757 2.023 . . . . 0.0 114.084 -157.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 m -71.88 -12.4 61.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.328 1.051 . . . . 0.0 113.585 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -102.61 138.54 39.38 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.756 1.623 . . . . 0.0 107.043 -165.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -63.23 -25.38 68.3 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.619 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 110.22 20.7 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.868 1.267 . . . . 0.0 108.319 -166.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.3 137.01 33.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -136.46 94.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 C-N-CA 125.386 1.474 . . . . 0.0 108.179 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD11 HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -88.38 93.22 9.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.001 -166.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.74 75.14 2.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.139 2.175 . . . . 0.0 110.292 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.586 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -89.99 64.85 6.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.11 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t -101.55 -12.46 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.582 -174.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.3 m -122.24 -7.32 8.79 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -176.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.586 HG11 ' HB3' ' A' ' 51' ' ' LEU . 4.5 p -57.47 157.57 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 120.354 -1.467 . . . . 0.0 110.118 149.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -141.32 -41.09 0.38 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.922 1.289 . . . . 0.0 110.302 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -77.52 135.7 38.24 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.8 ttm -145.59 129.11 17.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 167.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--N 1.325 -0.48 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -178.363 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.24 -41.17 78.3 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.36 1.457 . . . . 0.0 112.666 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.507 HD21 HG22 ' A' ' 91' ' ' ILE . 64.6 mt -68.98 -44.23 73.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 118.178 0.989 . . . . 0.0 111.135 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.6 92.19 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.069 -1.406 . . . . 0.0 111.274 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -51.87 -52.67 47.96 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 119.593 1.696 . . . . 0.0 109.52 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.25 -34.31 72.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.052 1.751 . . . . 0.0 111.677 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -70.39 -30.62 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 120.981 -1.074 . . . . 0.0 112.116 174.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.67 -53.68 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.241 -1.537 . . . . 0.0 108.041 165.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.697 HG21 HD12 ' A' ' 35' ' ' LEU . 3.2 mm -55.28 -38.97 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.883 0.873 . . . . 0.0 109.791 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.92 -50.5 73.52 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.829 -0.544 . . . . 0.0 111.447 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -53.81 -41.94 67.86 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.92 -41.27 97.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.213 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.01 -50.35 71.14 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 124.26 1.024 . . . . 0.0 111.106 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -36.09 69.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 117.379 -1.296 . . . . 0.0 111.5 -177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.52 -57.55 7.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 120.128 1.331 . . . . 0.0 108.61 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -69.26 -10.48 58.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.646 0.778 . . . . 0.0 112.213 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.71 66.58 2.6 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 127.213 2.34 . . . . 0.0 111.953 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -146.59 179.32 7.64 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.98 1.39 . . . . 0.0 112.315 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.79 89.56 3.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.745 2.018 . . . . 0.0 108.385 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.25 113.85 17.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.572 1.549 . . . . 0.0 108.478 176.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.436 HG12 ' HE2' ' A' ' 102' ' ' LYS . 8.3 mt -128.16 146.42 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB2' HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -95.62 -178.38 4.38 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.344 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.77 167.12 19.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.125 -0.984 . . . . 0.0 111.2 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.0 m 66.45 48.43 1.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.897 1.679 . . . . 0.0 112.994 160.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -62.54 112.63 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.307 1.843 . . . . 0.0 111.527 -172.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -66.54 155.68 37.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.051 163.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.8 -34.79 73.5 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.387 0.994 . . . . 0.0 112.094 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.132 1.773 . . . . 0.0 108.619 167.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.5 mm -46.13 -55.48 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 128.216 2.607 . . . . 0.0 108.254 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.496 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 4.7 t -34.58 -67.38 0.14 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.595 1.958 . . . . 0.0 109.588 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -49.85 -44.14 49.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.235 1.014 . . . . 0.0 112.491 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.507 HG22 HD21 ' A' ' 62' ' ' LEU . 15.6 mt -64.71 -37.51 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.906 2.082 . . . . 0.0 108.986 -174.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.72 -36.94 85.9 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.8 -1.187 . . . . 0.0 109.19 173.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HE3' ' O ' ' A' ' 89' ' ' SER . 12.8 mmtp -66.4 -34.28 77.6 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 22.1 mt -55.27 -63.61 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.767 1.627 . . . . 0.0 110.655 -173.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.26 17.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.412 1.885 . . . . 0.0 112.148 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 p80 45.9 29.92 0.8 Allowed 'General case' 0 C--N 1.343 0.301 0 C-N-CA 127.501 2.32 . . . . 0.0 113.224 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.28 -25.01 64.94 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 109.419 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -61.47 -16.22 45.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.915 2.086 . . . . 0.0 114.477 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -105.86 -3.52 21.8 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 168.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.6 mt -92.66 -67.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -79.51 4.58 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.414 1.086 . . . . 0.0 112.488 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HE2' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER 52.16 -169.5 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.492 0.717 . . . . 0.0 109.231 -161.637 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -160.86 154.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 164.234 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 p -130.45 140.76 50.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 170.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -23.84 58.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.267 170.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 p -140.72 170.93 14.85 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 124.275 0.984 . . . . 0.0 113.332 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.45 -31.03 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.543 0.737 . . . . 0.0 111.1 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.88 -26.78 67.05 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.2 1.0 . . . . 0.0 110.348 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -89.69 6.89 39.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.096 1.358 . . . . 0.0 112.55 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.9 1.28 . . . . 0.0 111.345 -174.472 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.696 0.76 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -145.33 161.09 40.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.045 1.738 . . . . 0.0 109.699 169.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 mt -137.63 145.08 42.29 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 127.133 2.173 . . . . 0.0 106.528 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.41 33.48 5.58 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -174.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -46.64 127.13 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.412 2.285 . . . . 0.0 113.042 -164.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' GLN . 11.2 t -136.87 153.68 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 127.592 2.357 . . . . 0.0 108.928 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -127.29 28.87 5.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 111.709 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' H ' HG12 ' A' ' 9' ' ' VAL . 12.7 tt0 -66.63 169.24 8.03 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.937 1.295 . . . . 0.0 111.225 173.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 60.05 10.99 2.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.957 2.103 . . . . 0.0 114.772 168.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 15.6 m-20 72.09 11.98 5.99 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.299 2.24 . . . . 0.0 113.682 -174.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HE3' ' HB3' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -102.67 175.05 5.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 166.061 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 153.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.1 mt -129.26 140.87 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.912 -2.625 . . . . 0.0 103.912 -169.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -146.1 100.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.659 0.742 . . . . 0.0 109.468 -176.472 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -76.3 106.84 8.15 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.918 1.287 . . . . 0.0 107.86 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.71 HG21 HD23 ' A' ' 51' ' ' LEU . 11.1 t -86.18 140.17 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -128.42 109.48 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.685 1.194 . . . . 0.0 108.5 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.08 -177.83 32.09 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.522 1.534 . . . . 0.0 109.6 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.19 131.93 50.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.175 1.39 . . . . 0.0 108.908 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.53 101.74 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 122.999 1.381 . . . . 0.0 108.378 -163.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -131.11 176.34 8.35 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 126.925 2.09 . . . . 0.0 105.824 170.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.14 -16.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.03 -15.99 56.04 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.008 1.276 . . . . 0.0 112.143 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -137.96 -34.22 0.67 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.508 -168.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 p -55.0 -23.41 19.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 121.518 1.963 . . . . 0.0 110.427 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -54.18 -76.0 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.734 2.813 . . . . 0.0 110.998 163.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -81.07 -44.35 18.13 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.953 1.301 . . . . 0.0 113.555 -170.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -41.55 -38.11 1.26 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 125.208 1.403 . . . . 0.0 111.669 167.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.94 -52.27 45.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.185 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.24 -30.88 71.94 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.585 0.754 . . . . 0.0 111.31 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.94 -41.74 20.41 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -61.29 -38.32 86.37 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.586 -0.696 . . . . 0.0 112.095 168.032 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -68.03 -19.69 64.92 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.48 -0.762 . . . . 0.0 111.657 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.45 -47.94 13.59 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 119.497 1.044 . . . . 0.0 110.619 166.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -46.48 -57.06 5.06 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.271 1.829 . . . . 0.0 109.197 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -24.58 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.887 0.875 . . . . 0.0 113.165 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -76.04 -56.26 4.83 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.272 0.942 . . . . 0.0 109.743 169.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -77.21 -15.5 59.46 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.458 1.123 . . . . 0.0 113.19 -164.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.414 HG21 HD11 ' A' ' 47' ' ' ILE . 9.7 t -56.14 -25.98 48.35 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.334 2.254 . . . . 0.0 116.681 -169.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 -54.7 0.39 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 121.628 2.013 . . . . 0.0 114.348 -171.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -78.46 140.84 38.6 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 127.182 2.193 . . . . 0.0 105.114 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -83.73 -15.0 50.26 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.678 -0.639 . . . . 0.0 109.879 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 120.02 34.63 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.414 HD11 HG21 ' A' ' 42' ' ' THR . 1.7 mp -115.59 133.13 62.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.84 123.15 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -115.53 85.75 2.34 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.636 0.731 . . . . 0.0 110.754 -161.634 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.97 83.98 5.79 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.22 -165.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.71 HD23 HG21 ' A' ' 19' ' ' VAL . 9.1 mt -84.03 28.33 0.61 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.029 1.331 . . . . 0.0 110.997 -174.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 19.3 p -68.09 -9.82 49.23 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -33.5 17.04 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.216 -0.928 . . . . 0.0 109.984 172.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 t -66.33 119.8 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.96 1.704 . . . . 0.0 109.014 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -113.97 -10.2 12.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.039 1.336 . . . . 0.0 112.996 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -138.24 141.47 39.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.273 1.829 . . . . 0.0 107.035 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 ttm -151.47 103.05 2.94 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.877 1.271 . . . . 0.0 109.279 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.5 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.002 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.91 93.34 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 123.88 0.752 . . . . 0.0 112.483 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.612 HD22 HD12 ' A' ' 97' ' ' LEU . 12.9 mt -66.14 -44.06 85.24 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 119.156 -0.449 . . . . 0.0 110.635 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.07 91.59 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 118.735 -1.036 . . . . 0.0 112.16 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -55.47 -52.42 63.7 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.305 1.552 . . . . 0.0 110.158 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.405 HD13 HD21 ' A' ' 81' ' ' LEU . 89.0 mt -58.31 -31.41 67.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.965 1.711 . . . . 0.0 111.598 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.38 -40.94 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 121.316 -0.865 . . . . 0.0 110.98 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.64 -51.02 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.282 0.946 . . . . 0.0 108.559 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.828 HG21 HD12 ' A' ' 35' ' ' LEU . 4.7 mm -59.11 -43.1 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.762 0.425 . . . . 0.0 109.859 -174.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.12 -52.1 66.63 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.399 0.545 . . . . 0.0 110.386 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -51.03 -42.27 60.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.65 76.21 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.052 0.541 . . . . 0.0 112.179 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.78 72.51 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 124.838 1.255 . . . . 0.0 110.425 169.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -69.09 -35.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.843 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.72 -47.01 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 119.273 0.942 . . . . 0.0 109.752 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.509 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 19.7 m-80 -82.58 2.83 31.25 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 113.178 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.28 49.42 78.74 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 126.869 2.176 . . . . 0.0 111.718 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 75' ' ' ASN . 1.4 ptpm? -139.08 -179.58 5.93 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.311 1.045 . . . . 0.0 110.37 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.92 165.48 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.746 1.218 . . . . 0.0 108.661 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -149.7 108.79 3.91 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 2.7 mt -114.9 150.2 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 172.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 65' ' ' LEU . 6.5 mt -84.35 -144.31 0.08 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 117.493 -1.241 . . . . 0.0 107.835 176.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.72 160.56 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.855 2.862 . . . . 0.0 110.486 155.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 52' ' ' SER . 72.5 m 65.17 64.41 0.62 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.898 1.679 . . . . 0.0 111.465 175.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.776 HD21 HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -81.11 103.78 11.14 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.806 2.042 . . . . 0.0 110.556 -176.058 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -64.5 163.18 13.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.934 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -25.59 58.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.319 1.848 . . . . 0.0 113.156 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -77.73 -71.25 0.43 Allowed 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.94 -51.52 16.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 126.727 2.011 . . . . 0.0 108.683 -164.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.5 t -48.31 -63.06 1.18 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.557 1.071 . . . . 0.0 110.012 -175.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -42.11 57.77 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 123.519 0.727 . . . . 0.0 111.839 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.84 -48.4 86.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.08 -32.18 63.9 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 119.361 -2.087 . . . . 0.0 110.805 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -76.81 -32.58 57.71 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -18.18 61.81 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.547 1.939 . . . . 0.0 112.902 -174.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.85 3.36 12.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.908 2.883 . . . . 0.0 111.519 177.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 m170 57.54 24.61 10.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.284 1.833 . . . . 0.0 113.026 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.612 HD12 HD22 ' A' ' 62' ' ' LEU . 56.8 mt -64.31 -23.46 67.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.843 -1.161 . . . . 0.0 110.575 176.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -14.11 16.13 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 175.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -109.22 -1.5 18.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.322 0.964 . . . . 0.0 112.241 172.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.58 -39.1 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.373 1.469 . . . . 0.0 107.518 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -110.61 10.8 22.93 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.038 1.735 . . . . 0.0 111.46 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.0 tttp 50.7 -166.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 109.653 -162.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.776 HG12 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -159.91 165.54 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.185 154.072 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 p -149.22 147.57 28.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.47 -26.35 55.28 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.929 173.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.6 p -145.89 162.25 38.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.07 -28.98 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 122.584 0.354 . . . . 0.0 110.82 169.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.95 -12.82 60.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.118 1.367 . . . . 0.0 113.156 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.36 -1.87 53.06 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.161 1.346 . . . . 0.0 112.311 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.579 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.173 1.389 . . . . 0.0 110.002 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.412 HD13 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 171.88 16.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.976 0.807 . . . . 0.0 112.524 -177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.2 mt -136.24 145.87 46.1 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.086 2.154 . . . . 0.0 108.465 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 79.02 1.87 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 mt -82.91 123.66 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 123.634 0.773 . . . . 0.0 109.255 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -130.07 145.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 125.963 1.705 . . . . 0.0 107.725 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.98 19.87 10.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.147 1.379 . . . . 0.0 112.774 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 25.29 -66.88 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 1 C-N-CA 132.88 4.472 . . . . 0.0 116.985 164.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -153.02 -62.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 157.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -103.85 -21.53 13.64 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -170.599 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 3.4 mttp -107.82 171.67 7.27 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.058 2.143 . . . . 0.0 108.314 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.98 50.25 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 108.165 155.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mt -142.56 121.5 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 -167.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -130.04 105.76 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 118.348 0.522 . . . . 0.0 109.692 -169.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.92 98.59 4.95 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.03 0.932 . . . . 0.0 108.699 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -62.79 139.44 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.46 131.75 50.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.68 1.992 . . . . 0.0 106.9 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -139.77 11.34 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.644 ' HA ' HG13 ' A' ' 54' ' ' VAL . 8.4 m-20 -141.5 179.58 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.622 2.769 . . . . 0.0 106.086 171.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.638 HD12 HG11 ' A' ' 54' ' ' VAL . 62.4 mt -131.9 94.07 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -149.74 -168.39 3.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 120.856 -1.152 . . . . 0.0 108.676 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.66 -5.07 4.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.733 1.151 . . . . 0.0 113.694 -176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.95 -7.82 58.41 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.224 0.92 . . . . 0.0 112.502 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -150.19 -52.84 0.15 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.149 -153.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -39.45 -47.4 1.82 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.898 2.079 . . . . 0.0 109.874 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -42.63 79.06 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.934 2.094 . . . . 0.0 113.272 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -94.94 -53.7 3.74 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 127.101 2.16 . . . . 0.0 108.567 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 23' ' ' ILE . 5.5 tp -41.02 -35.93 0.6 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.933 1.693 . . . . 0.0 111.929 163.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.95 -53.13 43.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 119.056 0.843 . . . . 0.0 111.666 173.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.56 -20.15 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.693 1.197 . . . . 0.0 111.736 -175.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.35 -46.85 5.37 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.231 1.412 . . . . 0.0 107.276 -170.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 49' ' ' LEU . 33.1 mt -66.57 -25.22 66.53 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 169.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.64 -59.34 4.99 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 167.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -41.17 92.83 Favored 'General case' 0 CA--C 1.521 -0.173 0 O-C-N 123.274 0.359 . . . . 0.0 111.241 -174.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 5.8 t80 -52.49 -47.27 66.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.732 1.213 . . . . 0.0 111.908 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 71' ' ' ASP . 8.7 mm -62.14 -36.83 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.372 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -46.47 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.894 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.9 p -69.94 -43.28 71.92 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 119.387 0.994 . . . . 0.0 110.356 -170.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 t -64.27 141.06 58.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.047 0.939 . . . . 0.0 111.391 -169.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -103.27 -0.8 29.82 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.366 -0.834 . . . . 0.0 112.94 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 14.4 mmmt -79.39 142.17 36.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 172.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -91.03 -10.93 40.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.016 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 123.75 48.08 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 127.012 2.125 . . . . 0.0 106.046 177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -128.65 106.34 14.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 -167.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -104.13 108.57 24.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 HG13 ' A' ' 17' ' ' VAL . 7.2 tp -86.97 121.21 29.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -106.9 106.92 17.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -170.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.21 12.08 32.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.212 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 p -52.4 -26.06 11.55 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -168.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -48.58 11.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.075 1.35 . . . . 0.0 110.402 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.644 HG13 ' HA ' ' A' ' 22' ' ' ASP . 61.6 t -59.7 124.01 13.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 126.956 2.102 . . . . 0.0 109.206 -172.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -102.93 -24.81 13.64 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.868 0.867 . . . . 0.0 112.659 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -134.47 145.4 48.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.85 1.66 . . . . 0.0 109.833 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.504 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.75 115.37 12.83 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.853 1.261 . . . . 0.0 108.534 174.361 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.76 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' HG22 ' A' ' 23' ' ' ILE . . . -71.5 -37.76 62.21 Favored Glycine 0 N--CA 1.448 -0.523 0 O-C-N 121.361 -0.837 . . . . 0.0 112.628 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.663 HD21 HG22 ' A' ' 91' ' ' ILE . 6.9 mt -59.1 -53.92 52.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.53 -21.91 69.22 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-O 118.249 -1.306 . . . . 0.0 113.367 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.44 -44.17 75.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 119.849 1.824 . . . . 0.0 110.395 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.49 -33.87 71.88 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.66 2.482 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.56 -22.34 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 122.988 0.515 . . . . 0.0 110.856 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.44 -46.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 120.264 -1.522 . . . . 0.0 110.586 170.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.22 -36.31 73.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.55 -52.92 63.6 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.516 -0.74 . . . . 0.0 112.291 166.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -51.5 -41.53 61.03 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.645 0.657 . . . . 0.0 109.88 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.525 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -68.42 -39.56 81.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.943 178.568 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.78 -44.49 73.75 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.546 1.138 . . . . 0.0 110.674 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.89 -39.75 83.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.823 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.8 -30.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 123.71 0.804 . . . . 0.0 112.422 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.511 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 33.4 m-80 -95.9 -6.82 38.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.889 0.875 . . . . 0.0 112.162 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.38 64.16 3.8 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 126.766 2.126 . . . . 0.0 111.447 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 7.9 ptpt -146.57 169.5 18.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.663 0.785 . . . . 0.0 111.452 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -80.48 170.66 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.694 1.198 . . . . 0.0 108.657 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -157.07 111.62 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.97 155.71 33.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 125.654 1.582 . . . . 0.0 108.731 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -125.0 169.49 12.07 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.651 0.781 . . . . 0.0 109.447 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 t -164.8 162.95 21.31 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -159.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m 49.95 65.11 1.52 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 123.46 1.6 . . . . 0.0 112.853 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD21 HG12 ' A' ' 103' ' ' ILE . 1.8 mp -76.83 95.85 4.16 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.759 1.624 . . . . 0.0 112.085 -170.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.38 83.29 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.315 1.446 . . . . 0.0 109.61 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 27.02 -77.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.995 3.718 . . . . 0.0 115.528 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.488 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -39.49 -69.09 0.14 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.037 1.335 . . . . 0.0 110.082 166.845 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.442 HD11 HG12 ' A' ' 54' ' ' VAL . 1.7 mp -49.06 -52.42 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.423 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.5 t -43.57 -65.54 0.48 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 29.8 ptt85 -61.74 -40.76 96.26 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 120.987 -1.071 . . . . 0.0 112.435 -166.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.663 HG22 HD21 ' A' ' 62' ' ' LEU . 25.1 mt -52.19 -39.54 27.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 126.971 2.108 . . . . 0.0 109.915 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 103' ' ' ILE . 5.9 mt -69.37 -39.62 77.94 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 120.498 -1.376 . . . . 0.0 109.558 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -75.76 -14.85 60.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.93 -71.2 0.16 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 120.587 1.539 . . . . 0.0 108.163 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.39 11.24 4.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.916 0.886 . . . . 0.0 111.061 -176.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m80 61.45 25.54 15.46 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.801 1.64 . . . . 0.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.709 HD23 HD12 ' A' ' 100' ' ' ILE . 84.2 mt -60.6 -21.56 62.8 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.754 -1.216 . . . . 0.0 112.435 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.07 -7.0 2.22 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 119.58 1.082 . . . . 0.0 111.856 168.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -107.59 -0.06 22.26 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 117.756 -3.09 . . . . 0.0 113.229 166.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.709 HD12 HD23 ' A' ' 97' ' ' LEU . 96.3 mt -105.48 -33.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 126.365 1.866 . . . . 0.0 109.027 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CD2' HD11 ' A' ' 81' ' ' LEU . 4.6 m-85 -122.58 7.49 9.49 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 127.359 2.264 . . . . 0.0 112.684 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.2 ttpp 48.33 -159.44 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -163.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.629 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -174.76 156.8 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 126.908 2.083 . . . . 0.0 107.49 165.633 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -137.5 142.14 41.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -41.06 81.0 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 117.579 -1.648 . . . . 0.0 108.552 166.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.9 p -139.62 163.6 32.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.618 0.767 . . . . 0.0 111.715 -172.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.2 p -54.89 -28.92 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.548 1.939 . . . . 0.0 111.714 173.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.99 -9.56 58.55 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.222 1.409 . . . . 0.0 112.052 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.81 3.75 37.07 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.781 1.232 . . . . 0.0 112.94 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.583 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.746 0.819 . . . . 0.0 110.656 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--O 1.237 0.443 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.67 164.62 27.8 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 126.562 1.945 . . . . 0.0 110.338 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -150.52 95.61 2.26 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.303 1.841 . . . . 0.0 108.026 -164.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.44 73.44 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.56 -165.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 mt -78.4 124.44 36.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.023 1.329 . . . . 0.0 108.981 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.9 t -134.43 147.9 29.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 127.307 2.243 . . . . 0.0 106.678 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -129.36 -91.61 0.46 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.3 0.64 . . . . 0.0 110.531 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 25.79 66.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.619 3.168 . . . . 0.0 113.232 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 179.21 -106.75 0.0 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 103.733 -2.692 . . . . 0.0 103.733 157.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -150.42 48.13 0.89 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.55 1.54 . . . . 0.0 110.7 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -154.78 127.96 8.34 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 126.784 2.034 . . . . 0.0 108.067 166.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.07 125.67 35.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.2 mt -125.54 134.16 67.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 -174.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG13 HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -136.09 109.31 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 13.0 mtp180 -79.84 96.33 6.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 t -66.33 124.09 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -138.56 112.84 8.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.041 1.336 . . . . 0.0 107.982 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.62 148.58 10.53 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.47 169.24 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.825 1.25 . . . . 0.0 110.759 -163.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.54 HG23 HD22 ' A' ' 31' ' ' LEU . 96.4 mt -127.67 13.83 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.89 -0.506 . . . . 0.0 110.537 -160.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.25 -167.7 1.11 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.937 -2.352 . . . . 0.0 110.178 -169.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -6.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 119.879 -1.763 . . . . 0.0 114.373 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -86.99 -12.12 48.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 120.412 1.46 . . . . 0.0 112.112 170.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -142.26 -36.38 0.41 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.419 -167.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -48.72 -41.42 31.91 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 122.934 2.606 . . . . 0.0 109.898 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.87 -41.54 3.33 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.715 2.406 . . . . 0.0 113.597 170.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -108.41 -43.85 4.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 120.068 1.304 . . . . 0.0 112.814 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -42.19 -39.94 2.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 109.608 168.204 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -61.63 -54.22 45.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.8 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -65.15 -31.13 72.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.762 0.71 . . . . 0.0 111.564 -174.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -81.3 -39.58 24.97 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.94 -31.25 69.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 112.781 171.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -52.62 64.51 Favored 'General case' 0 CA--C 1.518 -0.264 0 O-C-N 121.088 -1.008 . . . . 0.0 108.752 171.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.68 -37.6 84.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.371 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.5 t80 -52.69 -52.27 56.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.987 0.515 . . . . 0.0 109.923 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.76 -33.74 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.348 0.659 . . . . 0.0 111.709 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -77.2 -19.97 55.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 113.864 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -114.27 17.19 17.73 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.914 1.285 . . . . 0.0 109.973 -171.115 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -123.94 104.03 8.68 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.764 -1.21 . . . . 0.0 110.082 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -73.14 14.37 0.31 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.56 -1.337 . . . . 0.0 113.581 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -102.26 134.71 45.11 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 119.893 -1.755 . . . . 0.0 107.572 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.41 -6.91 16.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.268 171.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' C ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -133.61 118.1 17.82 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.099 1.76 . . . . 0.0 107.976 -165.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 46' ' ' LYS . 1.8 mp -119.76 131.76 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -176.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.81 98.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 128.0 2.52 . . . . 0.0 105.866 -172.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.63 HD12 HG13 ' A' ' 17' ' ' VAL . 8.8 tp -88.25 100.84 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.34 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 2.7 t70 -96.21 117.6 31.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.782 0.833 . . . . 0.0 111.341 -165.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' HB3' HG12 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -120.9 21.04 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.97 -0.456 . . . . 0.0 111.585 -168.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -49.83 -37.76 32.0 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.462 0.705 . . . . 0.0 111.073 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -76.25 -45.37 33.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' A' ' 51' ' ' LEU . 3.4 p -72.79 -178.75 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.153 0.502 . . . . 0.0 110.183 -168.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -155.58 -34.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.616 -1.303 . . . . 0.0 111.276 165.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.13 126.21 31.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -170.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.4 ttm -147.99 152.85 38.17 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 165.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 129.929 3.291 . . . . 0.0 107.327 -173.619 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 121.289 0.566 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.77 -37.52 39.21 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 125.357 1.456 . . . . 0.0 113.066 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 91' ' ' ILE . 15.9 mt -64.4 -52.35 58.64 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 117.845 0.823 . . . . 0.0 110.601 -170.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -61.85 -21.21 60.75 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-O 117.911 -1.494 . . . . 0.0 111.915 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -65.88 -49.19 68.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 119.132 1.466 . . . . 0.0 110.082 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.02 -35.53 73.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 121.483 1.947 . . . . 0.0 111.283 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -63.57 -35.17 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.525 0.73 . . . . 0.0 110.559 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 63' ' ' GLY . 74.0 t -64.69 -48.98 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 120.505 -1.372 . . . . 0.0 109.662 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.1 -36.06 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.41 -53.5 56.78 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.56 0.618 . . . . 0.0 110.578 170.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -51.69 -44.62 63.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 110.306 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.64 71.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.681 0.792 . . . . 0.0 110.725 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.72 -47.08 83.42 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.732 0.813 . . . . 0.0 110.607 171.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -77.06 -22.73 52.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.252 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 164.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -72.89 -4.5 32.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.816 0.846 . . . . 0.0 112.917 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.07 53.29 5.79 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 126.419 1.961 . . . . 0.0 113.267 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.73 173.49 11.43 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.963 -1.316 . . . . 0.0 112.242 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.12 169.1 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.566 1.547 . . . . 0.0 109.477 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -161.87 106.08 1.23 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -170.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 33.4 mt -135.54 152.71 31.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 124.7 1.2 . . . . 0.0 109.375 -169.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.47 167.13 10.55 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.664 0.745 . . . . 0.0 109.489 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 m -156.15 148.96 24.02 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.058 1.343 . . . . 0.0 109.947 -166.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.7 m 54.67 62.95 2.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.518 2.327 . . . . 0.0 114.252 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.687 HD21 HG12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -73.85 99.14 3.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.094 2.958 . . . . 0.0 111.229 178.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -55.4 152.06 9.21 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.728 165.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -47.61 -53.79 13.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.752 1.615 . . . . 0.0 111.476 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -71.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.403 1.881 . . . . 0.0 110.553 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -48.84 -52.03 10.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 C-N-CA 125.609 1.564 . . . . 0.0 108.885 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 11.6 t -46.4 -56.92 5.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.4 1.48 . . . . 0.0 108.789 -171.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -41.38 85.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 120.275 1.398 . . . . 0.0 111.061 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.552 ' O ' HD21 ' A' ' 62' ' ' LEU . 65.7 mt -67.47 -7.04 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 O-C-N 125.383 1.677 . . . . 0.0 107.286 -171.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -92.67 -45.47 8.04 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 118.423 -2.673 . . . . 0.0 110.242 164.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HE3' ' O ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -67.5 -24.3 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.819 -1.176 . . . . 0.0 112.273 -175.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -60.98 -15.54 32.77 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 129.132 2.973 . . . . 0.0 114.982 -173.503 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 21.29 2.53 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.843 1.257 . . . . 0.0 111.39 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m170 52.63 31.03 9.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.002 0.921 . . . . 0.0 112.814 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.432 HD23 HD12 ' A' ' 100' ' ' ILE . 72.5 mt -62.18 -32.13 72.72 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.72 -6.72 8.52 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.813 2.045 . . . . 0.0 115.204 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -119.15 -2.19 10.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.533 1.06 . . . . 0.0 112.528 167.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.432 HD12 HD23 ' A' ' 97' ' ' LEU . 78.9 mt -84.44 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 165.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 2.9 m-30 -76.15 5.28 7.04 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.937 2.095 . . . . 0.0 112.55 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.99 -171.46 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.529 0.68 . . . . 0.0 110.258 -161.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.687 HG12 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -160.88 152.61 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 O-C-N 121.257 -0.902 . . . . 0.0 108.756 160.159 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -131.04 155.21 47.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.11 -48.18 58.71 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.344 -1.472 . . . . 0.0 108.826 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 p -143.24 164.41 30.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.36 1.064 . . . . 0.0 109.353 -166.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.23 -20.89 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.162 -171.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -13.87 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.504 0.593 . . . . 0.0 110.859 170.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.06 0.31 34.76 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.508 -0.745 . . . . 0.0 111.313 172.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 124.896 1.278 . . . . 0.0 109.615 170.509 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.233 0.23 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.37 156.23 48.02 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.595 1.958 . . . . 0.0 108.172 170.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.4 mt -137.65 135.2 36.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -132.11 84.55 2.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.34 0.591 . . . . 0.0 110.614 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -76.04 143.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.721 1.609 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -145.38 137.05 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 128.197 2.599 . . . . 0.0 107.957 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -142.51 57.85 1.44 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.597 1.09 . . . . 0.0 113.07 -167.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -86.56 -75.88 0.37 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.657 1.117 . . . . 0.0 111.396 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 14' ' ' LYS . 3.9 p-10 -74.2 46.83 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.108 2.963 . . . . 0.0 112.626 -168.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 59.11 -12.88 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 129.338 3.055 . . . . 0.0 115.41 -178.207 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 12' ' ' ASP . 14.7 ttmt -79.57 135.4 36.59 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 131.072 3.749 . . . . 0.0 106.127 166.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.97 33.79 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 151.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.53 128.96 70.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.75 HG13 HD12 ' A' ' 49' ' ' LEU . 1.1 p -137.4 119.73 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 119.441 1.019 . . . . 0.0 110.326 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -75.56 105.5 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.898 0.879 . . . . 0.0 109.432 176.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.1 122.13 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -129.4 119.83 24.5 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.187 2.595 . . . . 0.0 106.05 -169.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.11 -153.33 24.78 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -146.24 16.34 1.34 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt 25.75 61.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 131.687 3.995 . . . . 0.0 113.741 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.85 -176.65 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 120.539 -1.351 . . . . 0.0 109.794 172.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -12.1 0.16 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.563 1.545 . . . . 0.0 114.238 158.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.9 0.29 57.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.532 1.933 . . . . 0.0 112.265 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -153.16 -40.36 0.1 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.774 -167.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -20.16 64.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.035 1.743 . . . . 0.0 112.746 -171.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -27.48 66.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.638 1.975 . . . . 0.0 110.956 169.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.74 -48.51 4.27 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 129.528 3.131 . . . . 0.0 109.995 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -36.69 -46.35 0.59 Allowed 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.07 2.148 . . . . 0.0 109.506 169.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.18 -50.23 74.5 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.592 0.558 . . . . 0.0 111.573 -175.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.23 -35.89 81.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.039 0.536 . . . . 0.0 110.358 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.93 -38.27 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -168.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -66.07 -43.24 87.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.314 1.045 . . . . 0.0 111.034 167.47 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -51.04 65.17 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.21 -49.54 63.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.834 1.653 . . . . 0.0 110.214 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.2 t80 -58.34 -55.07 39.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.145 1.378 . . . . 0.0 110.316 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -31.22 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.216 1.406 . . . . 0.0 110.89 176.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -64.21 -57.89 8.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.204 1.001 . . . . 0.0 109.854 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -93.6 -12.35 29.67 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -158.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -58.25 -33.16 69.08 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.9 -12.42 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -156.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 20.5 mmmt -79.32 135.42 36.73 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 121.569 1.986 . . . . 0.0 107.532 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.3 8.22 19.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.495 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 105.81 4.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -171.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.58 123.68 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 N-CA-C 103.243 -2.873 . . . . 0.0 103.243 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.11 110.01 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.75 HD12 HG13 ' A' ' 17' ' ' VAL . 15.7 tp -103.66 96.71 6.9 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.19 -1.368 . . . . 0.0 107.669 -169.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -79.83 99.46 7.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.638 1.975 . . . . 0.0 107.012 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 17.8 3.02 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 119.872 -1.767 . . . . 0.0 111.711 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -50.13 -36.96 31.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.409 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -89.79 -29.47 18.64 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -169.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.38 -177.54 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 119.289 0.95 . . . . 0.0 108.788 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -147.42 -30.97 0.32 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.311 -2.118 . . . . 0.0 113.726 163.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -119.8 167.99 11.54 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.381 1.072 . . . . 0.0 108.343 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.2 ttm -169.25 125.67 0.91 Allowed 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.647 1.979 . . . . 0.0 107.788 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 123.985 0.914 . . . . 0.0 110.722 171.529 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.73 -27.48 64.11 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.352 -1.249 . . . . 0.0 115.433 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 62' ' ' LEU . 6.5 tp -70.33 -59.9 2.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.108 1.954 . . . . 0.0 109.339 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.72 -19.94 75.39 Favored Glycine 0 N--CA 1.437 -1.253 0 O-C-N 123.785 0.678 . . . . 0.0 112.161 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.1 m -52.06 -53.6 40.19 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.598 1.199 . . . . 0.0 109.298 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.21 -30.51 69.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.514 1.506 . . . . 0.0 111.252 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.72 -40.22 85.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 121.535 -0.728 . . . . 0.0 110.721 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.24 -50.26 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 120.759 -1.213 . . . . 0.0 109.854 170.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 35' ' ' LEU . 3.3 mm -57.15 -43.8 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -174.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.86 -54.79 43.18 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.881 0.764 . . . . 0.0 110.479 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -52.39 -38.35 58.7 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.845 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -43.89 91.3 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.193 0.997 . . . . 0.0 112.896 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.1 -52.19 27.3 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.261 1.424 . . . . 0.0 109.02 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -67.99 -41.73 81.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.192 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.0 -43.52 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.602 1.561 . . . . 0.0 111.085 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -84.19 -6.92 59.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.125 0.97 . . . . 0.0 112.283 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.15 49.51 6.29 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 118.335 -1.258 . . . . 0.0 113.995 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.04 167.13 23.41 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.976 1.888 . . . . 0.0 113.399 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.17 170.92 15.82 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.4 1.08 . . . . 0.0 109.933 169.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -151.42 136.1 17.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.598 1.559 . . . . 0.0 107.895 174.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.1 mt -156.06 145.96 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 128.121 2.569 . . . . 0.0 104.368 -169.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -123.36 172.03 8.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.105 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -161.97 154.8 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.548 1.539 . . . . 0.0 110.758 -158.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m 65.37 49.63 1.86 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.117 1.767 . . . . 0.0 113.725 167.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.554 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -71.89 110.0 6.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.705 2.402 . . . . 0.0 111.253 -174.02 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -70.22 156.54 39.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.073 -1.422 . . . . 0.0 110.566 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.21 -31.93 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 120.151 1.342 . . . . 0.0 114.112 -170.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -71.0 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 120.153 1.342 . . . . 0.0 108.303 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 91' ' ' ILE . 6.4 mm -45.24 -50.4 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 128.391 2.676 . . . . 0.0 109.887 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.7 t -48.43 -55.25 11.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.026 1.33 . . . . 0.0 108.845 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.38 -40.74 95.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.601 -1.312 . . . . 0.0 110.899 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 88' ' ' ILE . 2.7 mt -55.22 -44.66 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.304 1.042 . . . . 0.0 109.626 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 103' ' ' ILE . 4.7 mt -61.98 -39.5 92.41 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.103 -0.998 . . . . 0.0 109.923 178.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -26.48 62.35 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 9.0 mt -56.07 -68.52 0.2 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.115 1.766 . . . . 0.0 108.251 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.74 12.72 0.98 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.722 1.609 . . . . 0.0 112.643 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB3' ' HE3' ' A' ' 99' ' ' LYS . 82.8 m-70 46.71 27.53 0.68 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 126.416 1.887 . . . . 0.0 113.218 -170.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.3 -27.15 68.27 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.148 -0.97 . . . . 0.0 109.228 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.73 -16.34 38.92 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' HE3' ' HB3' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.888 1.222 . . . . 0.0 110.051 165.829 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.7 mt -68.83 -34.13 62.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.312 1.445 . . . . 0.0 110.029 -167.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.637 ' HB2' HD21 ' A' ' 81' ' ' LEU . 4.5 m-85 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 126.512 1.925 . . . . 0.0 111.312 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 49.6 -167.19 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -156.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.571 HD11 HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -166.07 160.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 158.438 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 109' ' ' GLU . 43.2 p -136.15 154.12 51.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.918 1.236 . . . . 0.0 111.244 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.34 -49.96 56.65 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -134.1 165.67 24.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 122.147 0.975 . . . . 0.0 112.305 -169.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.92 -34.1 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.255 1.422 . . . . 0.0 109.936 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -71.7 -14.62 62.08 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.217 1.007 . . . . 0.0 112.343 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' A' ' 104' ' ' THR . 3.5 mp0 -85.24 -12.34 52.74 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.783 1.174 . . . . 0.0 112.612 170.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -172.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.99 166.56 22.75 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.926 1.29 . . . . 0.0 110.364 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -142.82 105.33 4.47 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.204 1.401 . . . . 0.0 107.781 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.46 86.26 3.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.459 HG12 HG22 ' A' ' 17' ' ' VAL . 20.3 mt -84.0 138.71 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.82 120.05 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 119.563 1.074 . . . . 0.0 108.71 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' HB3' ' HZ2' ' A' ' 44' ' ' LYS . 52.9 mt-10 -82.66 87.83 6.72 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 166.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.92 -175.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.607 2.363 . . . . 0.0 109.921 167.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -36.7 -50.58 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.717 2.007 . . . . 0.0 113.523 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.432 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -140.0 -2.19 1.52 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.444 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -114.01 156.98 23.1 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.655 2.382 . . . . 0.0 109.22 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.16 110.02 21.99 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 129.043 2.937 . . . . 0.0 108.679 165.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -97.02 147.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.559 1.544 . . . . 0.0 107.613 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 38' ' ' PHE . 97.6 t -133.11 101.66 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 119.126 0.876 . . . . 0.0 110.319 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.31 99.49 6.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.01 141.18 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.59 106.69 9.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.18 174.31 13.46 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.29 -173.2 2.6 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.729 1.611 . . . . 0.0 108.976 172.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mt -138.07 101.11 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 120.495 -1.378 . . . . 0.0 109.802 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -133.46 -174.22 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 127.423 2.289 . . . . 0.0 107.659 169.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.27 3.36 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.121 -1.612 . . . . 0.0 115.23 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -83.66 -21.44 32.44 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.886 1.221 . . . . 0.0 111.298 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -125.36 -48.58 1.7 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.04 -164.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.3 p -50.73 -40.27 54.01 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.886 1.274 . . . . 0.0 109.93 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.6 m -48.34 -30.8 5.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.819 2.848 . . . . 0.0 113.381 171.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.5 -49.62 2.82 Favored 'General case' 0 C--O 1.226 -0.164 0 C-N-CA 125.993 1.717 . . . . 0.0 109.694 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tt -45.8 -33.87 3.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.833 1.253 . . . . 0.0 111.017 167.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -65.61 -60.56 2.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.626 1.103 . . . . 0.0 113.085 173.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -64.92 -21.86 66.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.372 0.533 . . . . 0.0 111.029 -169.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -86.42 -41.59 14.32 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.199 1.0 . . . . 0.0 108.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -60.88 -42.27 97.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.303 0.956 . . . . 0.0 112.144 171.048 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -65.72 -34.4 78.1 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.389 -0.82 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.49 -47.85 68.83 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.71 172.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 17' ' ' VAL . 1.6 t80 -45.36 -50.91 11.83 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 126.558 1.943 . . . . 0.0 109.388 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.472 HG21 ' HB3' ' A' ' 71' ' ' ASP . 3.0 mm -54.04 -48.28 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 112.149 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 t -67.93 -36.25 79.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.796 0.838 . . . . 0.0 111.06 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -97.06 2.21 51.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.18 0.992 . . . . 0.0 111.571 -166.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -114.2 124.96 53.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.72 1.208 . . . . 0.0 108.977 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.7 m -92.06 5.98 48.2 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.859 -1.151 . . . . 0.0 113.491 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 6.0 mmmm -78.35 127.36 32.11 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.737 -2.32 . . . . 0.0 104.737 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -68.77 -10.53 57.12 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.662 169.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 117.0 32.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.748 1.158 . . . . 0.0 108.895 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HE3' ' A' ' 77' ' ' LYS . 50.2 mm -115.74 117.6 56.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 128.241 2.616 . . . . 0.0 106.7 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -121.8 101.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.83 120.34 23.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.07 119.9 32.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.22 31.88 4.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.002 0.921 . . . . 0.0 109.54 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 t -64.73 -13.41 54.62 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.327 1.451 . . . . 0.0 111.941 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 t -106.5 -28.0 10.57 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.795 -1.19 . . . . 0.0 111.607 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 t -73.18 122.01 25.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -114.77 -34.31 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.387 0.675 . . . . 0.0 111.968 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -108.98 140.77 42.03 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.205 1.802 . . . . 0.0 108.669 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.2 ttm -149.72 107.64 3.71 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.665 1.186 . . . . 0.0 109.181 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 CA--C 1.534 0.343 0 O-C-N 123.823 0.702 . . . . 0.0 111.275 174.791 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.46 11.44 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 126.971 2.224 . . . . 0.0 113.926 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 91' ' ' ILE . 10.7 mt -64.3 -53.03 55.34 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.415 1.086 . . . . 0.0 109.638 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.25 -32.35 60.22 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-O 119.007 -0.885 . . . . 0.0 112.075 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.7 m -52.24 -53.94 37.4 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 118.936 1.368 . . . . 0.0 110.61 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.13 -30.21 70.87 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 110.51 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.21 -36.53 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.391 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -54.28 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.107 1.363 . . . . 0.0 107.924 171.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.703 HG21 HD12 ' A' ' 35' ' ' LEU . 3.7 mm -59.35 -38.17 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -173.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.22 -55.48 33.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.517 -0.739 . . . . 0.0 110.497 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -54.07 -38.68 65.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.139 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -70.81 -31.83 68.71 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.462 0.574 . . . . 0.0 111.468 178.643 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.44 69.1 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.272 1.029 . . . . 0.0 110.554 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.174 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.04 -57.05 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 119.438 1.017 . . . . 0.0 109.016 167.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.73 0.28 21.07 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.3 50.51 66.87 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 126.517 2.008 . . . . 0.0 111.648 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HE3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.78 167.18 16.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.151 0.98 . . . . 0.0 110.133 175.584 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.67 169.54 17.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.768 170.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.58 118.08 5.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.392 1.477 . . . . 0.0 107.462 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 56.2 mt -132.74 158.03 43.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 124.418 1.074 . . . . 0.0 109.426 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.455 HD12 HG13 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -119.32 171.83 8.04 Favored 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 123.335 0.654 . . . . 0.0 110.255 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.51 161.77 30.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.891 1.276 . . . . 0.0 109.475 -170.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 m 58.84 51.26 7.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.428 1.891 . . . . 0.0 112.881 174.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -73.72 114.66 12.24 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 131.017 3.727 . . . . 0.0 110.494 -176.155 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -74.51 159.9 31.63 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.779 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -56.19 -31.02 63.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.196 0.998 . . . . 0.0 111.857 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -74.37 0.13 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.078 0.951 . . . . 0.0 110.403 165.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mm -52.34 -55.07 11.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 125.239 1.416 . . . . 0.0 108.229 -166.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -40.87 -54.72 2.64 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.988 1.715 . . . . 0.0 109.356 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -61.73 -47.0 87.2 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.854 -1.154 . . . . 0.0 111.866 178.337 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.451 HG22 HD21 ' A' ' 62' ' ' LEU . 68.1 mt -58.62 -31.74 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.555 1.542 . . . . 0.0 110.42 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.409 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.9 mm? -69.59 -49.46 53.87 Favored 'General case' 0 C--O 1.232 0.143 0 O-C-N 120.605 -1.309 . . . . 0.0 108.326 173.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 3.0 mppt? -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mp -49.98 -69.9 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.861 1.665 . . . . 0.0 109.818 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -77.64 16.44 0.66 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.92 0.888 . . . . 0.0 110.27 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.47 35.63 18.16 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 127.358 2.263 . . . . 0.0 111.752 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.537 HD23 HD12 ' A' ' 100' ' ' ILE . 79.3 mt -73.38 -22.45 60.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.234 1.014 . . . . 0.0 110.578 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -69.95 -8.94 53.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 110.82 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -101.21 1.1 38.64 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.944 -1.723 . . . . 0.0 112.87 166.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.537 HD12 HD23 ' A' ' 97' ' ' LEU . 47.9 mt -106.75 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -92.92 12.21 24.62 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.782 1.233 . . . . 0.0 111.697 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.574 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 7.0 tttp 46.93 -153.7 0.06 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.16 0.984 . . . . 0.0 108.929 -169.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.574 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -171.55 163.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 127.553 2.341 . . . . 0.0 109.782 163.596 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.0 p -140.59 148.72 41.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.62 1.1 . . . . 0.0 109.916 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.6 -22.39 50.93 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.529 -0.732 . . . . 0.0 112.398 170.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.4 p -148.68 167.47 25.43 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.151 0.98 . . . . 0.0 110.606 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.67 -25.42 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 121.621 -0.674 . . . . 0.0 110.091 168.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.1 -8.62 55.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.792 1.237 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.02 -3.66 34.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.074 0.95 . . . . 0.0 112.378 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.575 -1.202 . . . . 0.0 112.945 -157.759 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.237 0.416 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -124.72 162.51 24.06 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 128.633 2.773 . . . . 0.0 109.672 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -149.46 100.2 2.98 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.423 1.489 . . . . 0.0 107.333 -171.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 47.9 t0 -83.35 72.76 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.85 117.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.4 t -128.97 135.62 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 126.543 1.937 . . . . 0.0 107.806 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -145.11 96.67 2.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.201 1.0 . . . . 0.0 109.789 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -131.55 -96.44 0.34 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.874 162.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -49.03 78.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 130.199 3.4 . . . . 0.0 113.549 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.256 1.1 m-20 24.68 44.13 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 130.227 3.411 . . . . 0.0 115.771 -164.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD3' HG21 ' A' ' 48' ' ' VAL . 12.2 ttmt -155.56 158.44 38.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.288 -1.507 . . . . 0.0 109.073 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.88 125.71 51.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 162.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -129.86 123.07 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -127.09 106.92 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -171.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 71.8 mtt180 -78.7 98.47 6.24 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.465 0.65 . . . . 0.0 111.139 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.54 127.28 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.967 1.707 . . . . 0.0 108.382 168.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -139.08 114.87 10.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.801 1.64 . . . . 0.0 107.288 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 143.64 169.66 12.84 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -79.22 158.95 27.52 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 164.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.8 mt -132.55 92.72 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.121 0.969 . . . . 0.0 108.429 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -125.16 -170.12 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 128.019 2.528 . . . . 0.0 108.053 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.89 -7.26 0.29 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 170.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.27 10.58 23.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.569 1.947 . . . . 0.0 111.248 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -152.89 -38.26 0.1 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 117.771 -1.109 . . . . 0.0 111.684 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 p -55.69 -37.79 68.81 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 119.922 1.237 . . . . 0.0 110.424 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.76 -40.16 54.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.115 1.766 . . . . 0.0 110.795 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.7 -51.27 5.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.179 1.392 . . . . 0.0 111.552 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -47.3 -35.43 7.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.03 1.332 . . . . 0.0 109.526 171.518 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -62.42 -59.87 4.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.754 0.707 . . . . 0.0 111.228 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.7 -22.12 60.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.15 -166.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -81.47 -36.65 29.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD13 HD21 ' A' ' 49' ' ' LEU . 18.3 mt -73.27 -32.18 64.52 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.217 0.607 . . . . 0.0 111.972 172.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -60.38 -52.28 65.93 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -43.98 80.68 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.727 0.694 . . . . 0.0 111.095 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.4 t80 -52.49 -55.55 21.26 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.507 1.523 . . . . 0.0 111.393 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.03 -24.76 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.218 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -65.74 -40.58 92.29 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.147 0.979 . . . . 0.0 111.001 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -91.4 -95.6 0.13 Allowed 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.282 9.0 t 40.16 -164.61 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.53 2.732 . . . . 0.0 112.711 -174.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.46 11.35 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.73 1.612 . . . . 0.0 111.455 168.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -119.88 144.96 47.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.38 1.872 . . . . 0.0 106.934 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.47 -10.5 48.87 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.2 112.49 24.5 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -174.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -107.44 123.72 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -174.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.425 HG21 ' HD3' ' A' ' 14' ' ' LYS . 99.1 t -112.51 96.87 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 17' ' ' VAL . 5.2 tp -79.32 104.04 9.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 3.4 t0 -91.76 113.04 25.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -171.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.599 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -109.67 37.36 2.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.304 0.956 . . . . 0.0 110.796 177.768 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.472 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 1.9 t -64.49 -17.08 63.53 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -119.42 -15.22 9.1 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -170.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.599 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 11.9 p -70.77 168.68 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 120.293 1.406 . . . . 0.0 109.754 160.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.7 m -147.63 -34.78 0.24 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.997 2.119 . . . . 0.0 109.942 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -90.65 125.82 35.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.093 1.357 . . . . 0.0 108.74 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.4 ttp -137.95 134.74 35.29 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 162.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 N--CA 1.45 -0.426 0 O-C-N 123.846 0.716 . . . . 0.0 111.88 168.529 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.95 -29.13 74.4 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 125.311 1.434 . . . . 0.0 112.344 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD13 HG22 ' A' ' 91' ' ' ILE . 22.3 tp -76.05 -55.53 5.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 117.659 0.729 . . . . 0.0 110.518 -173.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.83 -27.0 55.54 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 118.551 -1.138 . . . . 0.0 111.832 172.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.503 HG21 HD23 ' A' ' 31' ' ' LEU . 45.7 m -57.4 -45.5 84.49 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.492 1.646 . . . . 0.0 110.185 171.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.37 -31.21 70.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 122.17 2.259 . . . . 0.0 111.115 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.82 -28.64 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.206 0.602 . . . . 0.0 110.081 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.46 -51.87 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.111 -1.618 . . . . 0.0 109.253 164.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -58.43 -37.35 63.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.329 1.052 . . . . 0.0 109.231 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.1 -48.81 80.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-O 118.704 -0.665 . . . . 0.0 111.099 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -52.48 -39.35 61.08 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.524 0.602 . . . . 0.0 109.997 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -41.26 74.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.631 0.773 . . . . 0.0 111.473 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -53.04 56.41 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.211 0.914 . . . . 0.0 110.888 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -69.21 -34.14 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 117.362 -1.304 . . . . 0.0 111.336 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -56.02 -53.49 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.727 1.211 . . . . 0.0 110.238 168.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -75.0 -7.31 53.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.3 56.53 6.81 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 128.769 3.08 . . . . 0.0 111.977 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 177.45 7.97 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.909 0.855 . . . . 0.0 112.243 -175.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -79.76 -173.46 3.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.529 1.157 . . . . 0.0 107.897 169.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.98 124.12 0.43 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 129.99 3.316 . . . . 0.0 108.43 167.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 102' ' ' LYS . 34.2 mt -130.0 164.47 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.609 1.563 . . . . 0.0 108.159 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.18 177.53 4.69 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.764 0.826 . . . . 0.0 110.919 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.53 157.76 32.69 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.882 1.273 . . . . 0.0 112.694 -174.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m 68.25 44.23 1.41 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.267 2.227 . . . . 0.0 114.041 160.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.855 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -60.89 103.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 126.888 2.075 . . . . 0.0 113.025 -169.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 52' ' ' SER . 6.8 mmtt -72.06 76.97 0.94 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.98 2.512 . . . . 0.0 107.357 169.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 36.73 -77.85 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 129.208 3.003 . . . . 0.0 115.197 157.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -45.33 -61.86 1.5 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.233 1.813 . . . . 0.0 110.898 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 mm -52.42 -57.15 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 C-N-CA 126.693 1.997 . . . . 0.0 107.98 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 4.0 t -39.27 -55.53 1.68 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 108.777 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -55.41 -49.06 73.35 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.312 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.576 HG22 HD13 ' A' ' 62' ' ' LEU . 32.9 mt -62.28 -34.35 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 126.175 1.79 . . . . 0.0 109.197 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -51.69 64.25 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 169.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -59.67 -6.8 1.27 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 172.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.8 -68.75 0.62 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 121.072 1.76 . . . . 0.0 108.366 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.4 m -78.29 17.49 0.63 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.843 1.201 . . . . 0.0 113.012 -173.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 m170 57.35 30.62 18.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.043 -1.66 . . . . 0.0 110.851 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 62' ' ' LEU . 82.1 mt -66.1 -24.02 66.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.899 0.88 . . . . 0.0 110.969 -178.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -67.83 -6.43 21.45 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.759 2.424 . . . . 0.0 113.341 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -119.51 7.18 11.1 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.213 1.405 . . . . 0.0 111.824 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -106.46 -70.07 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -82.5 18.61 1.44 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.242 1.017 . . . . 0.0 110.502 174.877 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 80' ' ' ILE . 3.1 ttpp 44.2 -157.46 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.979 0.912 . . . . 0.0 109.567 -169.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -166.06 160.59 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.154 155.46 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -140.78 164.63 29.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.842 1.201 . . . . 0.0 108.336 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.81 -35.03 26.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.749 1.613 . . . . 0.0 109.551 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 p -135.8 156.18 49.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.243 0.545 . . . . 0.0 112.082 -172.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.47 -15.63 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.541 0.736 . . . . 0.0 111.572 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 -17.78 64.94 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.023 166.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -95.52 3.07 54.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.096 0.862 . . . . 0.0 112.434 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 CA-C-N 119.09 0.859 . . . . 0.0 111.945 -164.91 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HB2' HD22 ' A' ' 27' ' ' ASN . 3.0 tm? . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.126 0.489 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.82 158.38 42.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 126.591 1.956 . . . . 0.0 108.309 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -143.16 101.31 3.79 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 108.136 -170.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -98.12 83.76 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.47 0.481 . . . . 0.0 111.291 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.81 141.06 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.342 0.657 . . . . 0.0 109.532 -168.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.21 132.4 15.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 126.591 1.956 . . . . 0.0 108.382 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -133.73 90.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.627 0.771 . . . . 0.0 110.069 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -133.74 -43.51 0.82 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 110.842 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 60.69 2.31 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.359 1.076 . . . . 0.0 109.435 -171.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.3 OUTLIER 50.22 -16.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 1 C-N-CA 132.21 4.204 . . . . 0.0 117.924 -168.553 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 48.4 mttp -96.36 170.14 9.44 Favored 'General case' 0 CA--C 1.496 -1.111 0 C-N-CA 127.153 2.181 . . . . 0.0 109.785 -178.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.49 132.0 45.11 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.459 -2.155 . . . . 0.0 105.586 153.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -129.3 129.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 102.759 -3.052 . . . . 0.0 102.759 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG13 HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -141.82 110.32 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -170.305 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -73.53 102.93 3.98 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.72 130.51 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 162.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.42 124.83 23.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.35 -162.99 32.72 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-O 121.989 0.771 . . . . 0.0 112.008 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.17 106.93 9.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 102.741 -3.059 . . . . 0.0 102.741 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.91 96.06 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.86 -170.1 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 124.386 1.074 . . . . 0.0 108.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.09 -7.9 0.92 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.619 1.568 . . . . 0.0 114.286 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -79.2 -4.29 49.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.647 1.179 . . . . 0.0 112.872 168.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.628 HD22 ' HB2' ' A' ' 4' ' ' LEU . 3.2 m120 -146.53 -48.22 0.19 Allowed 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.637 -156.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 p -58.42 -7.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 112.76 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 t -77.34 -44.42 29.54 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.533 1.933 . . . . 0.0 110.452 168.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -111.95 -48.19 3.07 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.628 2.771 . . . . 0.0 111.137 -162.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tp -40.52 -43.4 1.84 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 120.218 1.372 . . . . 0.0 108.969 159.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -64.16 -52.8 57.28 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.594 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.24 -21.25 59.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.559 0.618 . . . . 0.0 111.005 -172.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -84.17 -35.53 23.5 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.7 mm? -62.59 -48.22 80.39 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.465 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -54.37 -47.98 72.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.33 0.968 . . . . 0.0 109.229 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -56.99 -56.73 17.96 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.19 0.596 . . . . 0.0 111.028 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.36 -52.11 23.24 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 126.733 2.013 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.5 -34.16 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -78.63 -16.18 57.65 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -112.77 -18.98 12.17 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.924 1.693 . . . . 0.0 113.452 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -66.34 -16.56 64.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -164.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 t 65.19 -28.92 0.11 Allowed 'General case' 0 CA--C 1.552 1.027 0 O-C-N 119.419 -2.05 . . . . 0.0 114.239 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -79.6 138.14 37.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.53 -1.981 . . . . 0.0 108.134 -175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -77.72 4.61 11.18 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.769 -1.207 . . . . 0.0 113.011 172.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.92 114.86 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -166.778 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.71 111.39 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.18 113.62 34.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 169.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 17' ' ' VAL . 6.9 tp -95.17 92.18 6.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.088 0.955 . . . . 0.0 109.719 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.57 119.73 28.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 126.322 1.849 . . . . 0.0 111.206 -168.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.462 ' HB3' HG12 ' A' ' 54' ' ' VAL . 9.3 mt -114.72 19.16 16.19 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.701 -1.249 . . . . 0.0 113.358 -165.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -58.12 -25.37 61.31 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.597 1.159 . . . . 0.0 113.25 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 -42.1 19.65 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 120.369 -1.457 . . . . 0.0 112.596 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG12 ' HB3' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.16 127.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -160.776 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -123.03 -3.07 8.6 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -166.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -136.95 147.41 46.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.1 ttm -162.04 102.44 1.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.611 1.964 . . . . 0.0 109.251 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 CA--C 1.537 0.459 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.985 179.644 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.21 68.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 126.654 2.073 . . . . 0.0 110.776 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 91' ' ' ILE . 20.4 tp -57.45 -54.21 49.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.943 0.897 . . . . 0.0 109.543 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -29.83 75.47 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.147 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.3 m -55.41 -51.65 66.17 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 118.224 1.012 . . . . 0.0 109.343 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.32 -32.45 71.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.475 1.489 . . . . 0.0 111.149 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.77 -35.05 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 121.983 -0.448 . . . . 0.0 110.15 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.05 -53.11 53.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.353 1.061 . . . . 0.0 108.693 167.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -57.9 -39.53 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -171.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.06 -52.8 63.85 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.8 -0.562 . . . . 0.0 111.402 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.12 -42.2 60.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.58 -40.99 98.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.654 0.781 . . . . 0.0 112.128 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.85 -55.68 27.75 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.556 1.142 . . . . 0.0 110.223 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -65.1 -39.85 93.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.087 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.21 -55.97 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 108.869 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 77' ' ' LYS . 12.2 m-80 -70.76 -10.43 59.48 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.9 55.74 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.958 1.742 . . . . 0.0 113.177 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -112.81 174.72 5.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.996 1.898 . . . . 0.0 111.331 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -104.21 144.98 30.87 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.477 1.111 . . . . 0.0 108.589 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -132.83 111.04 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.487 2.315 . . . . 0.0 107.248 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.9 mt -123.01 160.26 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 126.84 2.056 . . . . 0.0 109.126 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -120.29 164.53 16.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.619 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.84 158.81 44.22 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.05 0.94 . . . . 0.0 110.255 -171.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.6 m 60.62 47.91 7.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.242 1.817 . . . . 0.0 113.16 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -59.17 108.53 0.7 Allowed 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 130.301 3.44 . . . . 0.0 108.646 173.326 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -67.29 149.41 50.41 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 161.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.35 -48.26 62.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.629 0.649 . . . . 0.0 111.371 -167.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -53.02 -66.57 0.36 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.009 1.724 . . . . 0.0 110.791 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.52 -52.4 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.774 1.63 . . . . 0.0 108.744 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -44.57 -51.11 9.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.567 1.147 . . . . 0.0 108.614 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -50.27 64.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.504 1.922 . . . . 0.0 112.489 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.522 HG22 HD13 ' A' ' 62' ' ' LEU . 7.9 mt -60.35 -36.64 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.123 1.769 . . . . 0.0 110.094 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.83 -40.17 87.91 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.311 -1.493 . . . . 0.0 108.875 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -67.8 -25.09 65.42 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.22 -69.08 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 121.41 1.914 . . . . 0.0 110.655 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -81.47 15.52 2.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 122.834 0.454 . . . . 0.0 110.186 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.4 m80 50.76 39.45 22.05 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.053 1.741 . . . . 0.0 109.991 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 85.9 mt -74.13 -18.06 60.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.659 -0.651 . . . . 0.0 110.203 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.71 -10.93 6.05 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.1 -0.953 . . . . 0.0 113.492 170.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.13 -12.71 17.87 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.302 1.41 . . . . 0.0 113.485 166.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.85 -20.03 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 125.655 1.582 . . . . 0.0 110.467 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 3.6 m-85 -127.8 8.29 6.28 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.143 1.777 . . . . 0.0 112.354 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 14.1 tttp 49.16 -161.14 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -160.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.477 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -163.68 164.86 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 126.146 1.778 . . . . 0.0 108.303 152.167 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.8 p -138.9 153.53 48.28 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -51.66 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 p -142.75 177.0 8.62 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.004 0.521 . . . . 0.0 111.668 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.72 -18.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.691 0.797 . . . . 0.0 111.974 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.7 -19.06 47.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.038 0.935 . . . . 0.0 111.948 169.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 8.11 9.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.965 -0.459 . . . . 0.0 111.985 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.464 159.232 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -124.62 163.74 21.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.282 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -142.91 100.87 3.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 126.336 1.855 . . . . 0.0 107.827 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.83 73.7 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.63 -172.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -79.43 122.29 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.662 1.185 . . . . 0.0 108.68 -174.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.2 t -132.99 142.65 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.304 1.842 . . . . 0.0 108.341 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -133.31 33.1 3.61 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.739 0.815 . . . . 0.0 111.842 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.87 18.34 5.78 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 120.381 1.446 . . . . 0.0 113.519 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -136.97 29.44 2.82 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.2 -0.937 . . . . 0.0 111.481 -168.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.05 8.03 0.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.318 2.247 . . . . 0.0 114.342 -172.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD3' HG21 ' A' ' 48' ' ' VAL . 31.6 ttmt -137.78 158.87 43.47 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 130.388 3.475 . . . . 0.0 105.3 -175.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.75 112.14 23.8 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 127.047 2.139 . . . . 0.0 107.166 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.69 133.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -166.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -138.19 110.02 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -169.386 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -75.07 101.48 4.54 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.87 130.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.716 1.607 . . . . 0.0 109.264 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -145.88 60.5 1.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.758 1.223 . . . . 0.0 109.352 -162.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.37 123.77 0.81 Allowed Glycine 0 N--CA 1.471 1.025 0 C-N-CA 120.225 -0.988 . . . . 0.0 115.382 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.25 105.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 131.78 4.032 . . . . 0.0 113.153 -167.379 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mt -80.74 92.03 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 C-N-CA 124.572 1.149 . . . . 0.0 108.938 -162.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -129.77 -172.61 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.689 1.996 . . . . 0.0 106.444 168.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 -1.41 0.35 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.064 -1.647 . . . . 0.0 114.696 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -92.74 -1.06 57.13 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.667 1.587 . . . . 0.0 112.518 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -154.59 -33.11 0.1 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -53.67 -39.93 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.183 1.811 . . . . 0.0 108.552 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 m -63.24 -21.95 66.56 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.212 1.805 . . . . 0.0 114.831 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.4 -43.88 2.91 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.346 1.858 . . . . 0.0 109.029 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -39.18 2.37 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 120.264 -1.522 . . . . 0.0 109.136 163.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -66.23 -48.59 70.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 118.869 0.758 . . . . 0.0 112.82 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.26 -30.8 69.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.454 0.57 . . . . 0.0 110.442 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -83.18 -35.96 25.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.241 1.017 . . . . 0.0 108.556 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -67.25 -34.06 76.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.358 -0.839 . . . . 0.0 112.746 169.282 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -64.38 -47.35 79.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.138 1.335 . . . . 0.0 109.376 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -52.66 40.66 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.776 0.831 . . . . 0.0 109.702 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.7 t80 -48.99 -58.39 4.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.953 2.101 . . . . 0.0 109.424 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.418 HG21 ' HB3' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -58.68 -30.96 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 113.067 -176.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -80.39 -43.48 20.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.239 0.927 . . . . 0.0 110.765 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -83.26 -28.53 29.1 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.736 0.698 . . . . 0.0 109.898 -166.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -65.37 138.68 58.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -98.75 -12.19 21.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 111.448 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.39 147.73 30.9 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.337 -1.477 . . . . 0.0 107.839 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -91.85 12.59 21.04 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.65 104.61 8.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.936 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.89 136.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.481 HG21 ' HD3' ' A' ' 14' ' ' LYS . 57.8 t -131.24 100.46 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 127.272 2.229 . . . . 0.0 105.987 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 17' ' ' VAL . 8.9 tp -79.93 109.91 14.8 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -89.1 123.15 33.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -115.31 35.32 4.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.735 1.152 . . . . 0.0 111.572 175.489 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 t -60.74 -34.29 74.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.247 -0.908 . . . . 0.0 110.601 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m -98.21 -13.51 20.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 8.8 p -74.96 -170.96 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.383 0.992 . . . . 0.0 109.658 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.9 m -159.28 -41.81 0.06 Allowed 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.846 -1.159 . . . . 0.0 111.505 162.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -91.12 138.7 31.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.515 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 ttm -150.99 104.37 3.14 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 108.098 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 . . . . . 0 CA--C 1.536 0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 171.461 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.86 82.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 124.865 1.221 . . . . 0.0 113.507 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.0 tp -66.72 -53.12 36.74 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 124.301 1.04 . . . . 0.0 109.217 -175.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.74 73.45 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-O 117.452 -1.749 . . . . 0.0 112.109 173.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.6 m -56.17 -48.57 76.07 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.126 1.963 . . . . 0.0 109.757 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.2 -39.26 85.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.714 1.597 . . . . 0.0 111.254 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 t -64.11 -34.82 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.802 0.441 . . . . 0.0 110.113 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.79 -54.65 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.129 -0.982 . . . . 0.0 108.736 170.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.638 HG21 HD12 ' A' ' 35' ' ' LEU . 3.7 mm -57.73 -42.5 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 119.453 1.024 . . . . 0.0 109.607 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.8 -43.13 65.68 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.247 1.019 . . . . 0.0 111.518 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -55.65 -30.52 61.14 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 124.282 1.033 . . . . 0.0 111.069 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -88.32 -36.51 16.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.047 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.82 -54.99 7.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.298 1.408 . . . . 0.0 111.552 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -67.05 -37.91 84.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.75 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.08 -60.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 124.797 1.239 . . . . 0.0 108.452 168.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -71.39 0.29 8.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.896 0.878 . . . . 0.0 112.966 -173.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 26.66 32.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 127.254 2.359 . . . . 0.0 112.848 165.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -130.14 157.36 42.64 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.909 1.338 . . . . 0.0 113.22 -161.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -88.75 151.15 22.59 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.982 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -145.79 93.36 2.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.884 -159.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.0 mt -125.24 155.17 34.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 124.226 1.011 . . . . 0.0 110.345 -169.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.36 170.21 9.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 119.271 0.941 . . . . 0.0 109.374 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 161.91 27.49 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.862 0.865 . . . . 0.0 110.77 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.6 m 56.9 53.37 8.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.422 1.889 . . . . 0.0 113.341 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.46 117.03 10.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 130.272 3.429 . . . . 0.0 110.113 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -78.7 166.27 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.031 170.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -48.37 -56.67 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.136 1.335 . . . . 0.0 111.023 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 t -56.47 -65.52 0.59 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.55 0.74 . . . . 0.0 110.079 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.68 -55.73 14.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -171.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -43.86 -53.94 5.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.696 1.198 . . . . 0.0 108.906 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.97 -48.14 82.91 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.431 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 77.6 mt -56.63 -38.93 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.527 1.931 . . . . 0.0 110.27 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HG ' HD11 ' A' ' 103' ' ' ILE . 4.1 mm? -64.38 -41.36 96.73 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 120.334 -1.479 . . . . 0.0 108.946 175.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.34 -30.48 71.2 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 171.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 15.5 mt -53.78 -60.56 3.15 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 120.098 1.317 . . . . 0.0 111.691 -174.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -90.48 22.55 3.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.89 0.768 . . . . 0.0 110.385 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.77 35.0 2.82 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 126.37 1.868 . . . . 0.0 113.607 -175.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 100' ' ' ILE . 66.2 mt -62.72 -23.95 67.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.47 1.108 . . . . 0.0 110.345 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -58.26 -18.61 27.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.253 2.221 . . . . 0.0 115.31 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -101.67 -21.92 14.56 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.148 1.34 . . . . 0.0 111.593 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.548 HD12 HD23 ' A' ' 97' ' ' LEU . 49.6 mt -75.66 -44.84 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.4 m-85 -115.04 14.85 17.2 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 126.656 1.983 . . . . 0.0 111.925 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' HE2' HG22 ' A' ' 104' ' ' THR . 4.1 tttt 50.97 -162.03 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.285 0.634 . . . . 0.0 110.042 -171.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.446 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -165.16 161.17 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.951 1.7 . . . . 0.0 108.922 155.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.488 HG22 ' HE2' ' A' ' 102' ' ' LYS . 16.2 p -139.55 131.39 27.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -30.74 71.75 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.417 -1.313 . . . . 0.0 111.633 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.0 p -142.07 174.92 10.16 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 110.448 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -60.01 -31.95 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.64 0.776 . . . . 0.0 110.338 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.57 -22.42 65.39 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.419 0.554 . . . . 0.0 111.417 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -88.18 6.23 37.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.888 0.767 . . . . 0.0 111.806 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.87 -1.538 . . . . 0.0 113.789 -174.876 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 53.07 51.25 16.13 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 122.813 1.292 . . . . 0.0 109.132 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.94 -53.68 5.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 113.488 -1.687 . . . . 0.0 108.264 -168.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.81 130.5 44.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -134.58 170.47 15.74 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.189 1.396 . . . . 0.0 110.625 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -141.71 130.63 23.08 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.222 1.809 . . . . 0.0 107.318 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 20.5 t0 -113.41 66.43 0.66 Allowed 'General case' 0 CA--C 1.538 0.491 0 O-C-N 124.045 0.841 . . . . 0.0 110.73 -173.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -70.95 140.61 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 120.521 -1.362 . . . . 0.0 109.237 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.0 t -145.75 143.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 126.896 2.078 . . . . 0.0 106.862 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -131.45 -6.88 3.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.11 1.364 . . . . 0.0 113.293 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.16 1.46 11.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -157.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -126.94 24.13 6.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.698 2.399 . . . . 0.0 110.225 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 44' ' ' LYS 0.374 7.0 m-20 78.17 18.93 1.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.444 2.297 . . . . 0.0 115.327 173.195 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.69 126.2 17.78 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 125.044 1.338 . . . . 0.0 107.884 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.16 80.87 5.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.472 1.109 . . . . 0.0 108.691 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.45 132.74 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG13 HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -136.92 104.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 10.1 mtp180 -77.21 104.25 7.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.8 136.31 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -122.54 95.58 4.69 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 125.674 1.59 . . . . 0.0 107.299 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.5 164.05 11.87 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.1 173.45 7.83 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.633 1.173 . . . . 0.0 109.08 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.514 HD12 HG11 ' A' ' 54' ' ' VAL . 97.9 mt -135.9 96.22 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.402 -0.811 . . . . 0.0 109.553 -166.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -119.19 -166.83 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.797 1.639 . . . . 0.0 107.823 160.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 -9.84 4.5 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -84.62 -16.31 42.46 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 120.837 1.653 . . . . 0.0 111.315 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -133.07 -40.26 0.93 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.386 -166.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 p -53.43 -36.23 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.005 1.275 . . . . 0.0 109.759 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -33.74 19.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.755 2.022 . . . . 0.0 111.714 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.48 -52.69 2.77 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.694 1.598 . . . . 0.0 108.812 -164.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.446 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -42.82 -37.36 1.77 Allowed 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 125.223 1.409 . . . . 0.0 110.831 165.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.53 -57.59 8.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.042 1.292 . . . . 0.0 112.618 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.17 -21.16 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.32 -0.238 . . . . 0.0 111.314 -167.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -86.39 -37.23 18.59 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.935 1.294 . . . . 0.0 108.085 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 19.5 mt -68.18 -37.06 80.55 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.106 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -64.1 -32.47 74.05 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 120.935 -1.103 . . . . 0.0 111.65 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -54.05 44.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.902 0.774 . . . . 0.0 109.807 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.9 t80 -49.24 -47.97 46.05 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 127.211 2.204 . . . . 0.0 111.176 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.07 -35.41 47.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.623 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -80.46 -44.09 19.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.59 1.156 . . . . 0.0 110.381 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -69.1 -36.69 77.82 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.169 0.895 . . . . 0.0 110.427 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 t -74.77 127.06 32.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.938 -0.476 . . . . 0.0 109.945 -169.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -88.98 -13.3 39.23 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 111.704 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 13.0 mmmt -79.37 132.0 36.28 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -18.57 64.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.563 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 104.17 14.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 119.146 0.885 . . . . 0.0 108.987 -171.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.37 133.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 127.561 2.345 . . . . 0.0 107.459 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -130.39 96.26 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 HG13 ' A' ' 17' ' ' VAL . 12.6 tp -81.53 90.76 6.27 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.292 -175.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 82' ' ' SER . 12.1 m-20 -79.17 106.17 11.02 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -172.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.84 21.85 1.81 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.931 -1.106 . . . . 0.0 113.578 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -59.44 -5.87 0.91 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 -10.64 9.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.055 1.742 . . . . 0.0 112.194 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 23' ' ' ILE . 3.5 t -82.23 149.03 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.61 -46.56 0.32 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.754 0.822 . . . . 0.0 109.694 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -96.31 137.73 34.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.0 ttp -146.18 112.0 5.64 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.274 1.429 . . . . 0.0 109.634 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.87 178.42 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.383 1.473 . . . . 0.0 111.23 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.37 70.35 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.823 -1.173 . . . . 0.0 112.008 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.35 -38.6 45.19 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 123.556 0.598 . . . . 0.0 111.697 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.71 -55.57 31.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.43 -33.29 65.82 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-O 119.092 -0.838 . . . . 0.0 111.402 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.446 HG21 HD23 ' A' ' 31' ' ' LEU . 98.3 m -57.71 -49.01 77.97 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.619 1.209 . . . . 0.0 110.445 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.75 -35.92 75.57 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 121.229 1.831 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.42 -36.39 77.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.756 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.0 t -58.35 -53.94 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 124.192 0.997 . . . . 0.0 109.336 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.75 -40.82 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.507 1.123 . . . . 0.0 109.45 -172.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.48 -53.71 54.29 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.524 0.678 . . . . 0.0 110.501 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.05 -34.89 70.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.396 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -33.81 71.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.245 0.475 . . . . 0.0 111.221 173.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.46 79.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.289 1.035 . . . . 0.0 110.94 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.05 -36.63 77.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.999 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.13 -53.69 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.268 0.94 . . . . 0.0 108.817 164.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.38 0.33 14.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.52 40.75 99.08 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 125.493 1.52 . . . . 0.0 111.717 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -128.35 171.52 11.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.316 1.058 . . . . 0.0 112.246 -174.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -81.66 164.46 21.8 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -145.17 120.85 10.49 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.0 mt -133.71 151.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -177.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.59 166.15 15.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' A' ' 50' ' ' ASP . 28.4 t -147.82 161.31 41.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.286 1.434 . . . . 0.0 110.107 -169.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m 69.95 42.1 1.06 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.995 1.318 . . . . 0.0 114.379 160.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.604 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.88 107.96 2.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 130.451 3.5 . . . . 0.0 113.052 -176.195 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -65.68 162.58 18.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.29 1.436 . . . . 0.0 110.093 169.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.4 -46.7 66.41 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.915 1.689 . . . . 0.0 111.062 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -77.05 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.773 1.629 . . . . 0.0 109.295 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.5 mm -46.7 -49.82 6.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 126.944 2.098 . . . . 0.0 109.663 -172.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -52.99 -55.08 26.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.988 1.315 . . . . 0.0 109.185 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -46.02 63.52 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.776 -0.578 . . . . 0.0 109.934 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.669 ' C ' HD12 ' A' ' 94' ' ' LEU . 8.5 mt -77.37 15.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 126.649 1.98 . . . . 0.0 110.598 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 103' ' ' ILE . 4.8 mt -114.28 -40.36 3.68 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 119.58 -1.95 . . . . 0.0 107.179 168.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.21 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.317 -0.864 . . . . 0.0 112.018 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.669 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -59.41 -24.04 63.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.374 2.269 . . . . 0.0 113.876 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.503 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -128.39 25.36 5.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.806 0.842 . . . . 0.0 111.99 171.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 58.81 20.95 8.47 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.093 -1.005 . . . . 0.0 112.196 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.534 HD23 HD12 ' A' ' 100' ' ' ILE . 85.7 mt -65.27 -22.78 66.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 120.988 -1.07 . . . . 0.0 109.509 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.07 -17.22 62.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.734 1.214 . . . . 0.0 113.166 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -94.88 -13.42 25.49 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.905 1.229 . . . . 0.0 112.96 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.534 HD12 HD23 ' A' ' 97' ' ' LEU . 40.9 mt -90.49 -42.09 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.466 1.106 . . . . 0.0 108.933 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.2 m-85 -115.78 19.99 14.85 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 126.131 1.772 . . . . 0.0 110.413 -177.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HB3' HG23 ' A' ' 80' ' ' ILE . 4.1 ttpp 47.16 -161.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.717 0.689 . . . . 0.0 109.958 -163.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.649 HD11 HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -163.55 163.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 125.41 1.484 . . . . 0.0 108.245 150.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.456 HG21 ' HA ' ' A' ' 110' ' ' ALA . 60.9 p -136.21 145.2 45.43 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -53.15 24.09 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.5 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -138.27 -179.3 5.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.636 0.774 . . . . 0.0 111.726 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.1 p -61.02 -21.08 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.087 0.555 . . . . 0.0 111.337 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.53 -12.79 61.55 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.158 -0.964 . . . . 0.0 112.217 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -101.17 -10.92 19.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.863 1.211 . . . . 0.0 112.507 168.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.456 ' HA ' HG21 ' A' ' 104' ' ' THR . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.149 -1.882 . . . . 0.0 114.158 -160.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -164.34 145.27 8.23 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -147.74 -67.5 0.25 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 108.643 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.87 145.83 53.35 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -140.4 171.62 13.89 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.834 2.054 . . . . 0.0 109.762 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -147.68 125.75 12.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.647 1.979 . . . . 0.0 106.949 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.25 88.26 2.77 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 109.894 177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.76 118.25 25.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 125.426 1.49 . . . . 0.0 108.281 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.76 143.94 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.144 1.777 . . . . 0.0 108.25 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.72 -118.27 0.25 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 54.39 -176.48 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.625 1.97 . . . . 0.0 110.855 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 33.95 -99.24 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.625 1.97 . . . . 0.0 110.358 -153.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 3.3 p30 -146.16 -1.89 0.72 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 164.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD3' HG21 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -81.25 160.06 24.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 122.102 2.228 . . . . 0.0 108.62 173.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.18 123.34 49.36 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 127.352 2.261 . . . . 0.0 106.75 160.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.1 mt -126.36 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -128.55 112.32 26.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -78.22 97.19 5.44 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 123.612 0.765 . . . . 0.0 109.231 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.18 142.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 166.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.76 106.69 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.82 -177.89 20.17 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -172.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -115.74 176.11 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.818 2.047 . . . . 0.0 107.681 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -137.3 104.83 3.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 O-C-N 120.866 -1.146 . . . . 0.0 109.707 -166.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -137.7 -165.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 127.89 2.476 . . . . 0.0 107.822 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -12.23 52.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 119.841 -1.787 . . . . 0.0 115.339 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.22 -36.08 47.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 120.401 1.455 . . . . 0.0 109.849 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -112.82 -40.64 3.96 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.844 -159.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -55.94 -39.09 71.19 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 119.936 1.244 . . . . 0.0 109.46 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -37.98 -46.09 0.95 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.23 2.612 . . . . 0.0 113.167 163.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.53 -43.53 6.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 121.345 1.884 . . . . 0.0 112.27 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.04 -26.53 27.06 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 120.642 -1.286 . . . . 0.0 111.294 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -66.93 -65.59 0.66 Allowed 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 119.164 0.893 . . . . 0.0 110.656 168.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.58 -20.78 66.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.774 0.715 . . . . 0.0 111.793 -164.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -85.77 -38.19 18.48 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.727 0.811 . . . . 0.0 109.516 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD12 HG21 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -62.25 -43.62 98.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.071 0.85 . . . . 0.0 111.653 168.377 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -35.61 71.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.392 1.477 . . . . 0.0 109.026 175.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.67 -60.57 2.44 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.154 0.582 . . . . 0.0 110.829 169.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.1 t80 -47.52 -44.72 25.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 128.3 2.64 . . . . 0.0 112.04 -172.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -72.47 -22.3 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.452 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -72.46 -32.2 66.06 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.023 162.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 -20.62 26.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.808 1.64 . . . . 0.0 113.209 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.495 HG23 ' HE2' ' A' ' 77' ' ' LYS . 12.0 t -88.19 109.49 19.95 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.643 1.11 . . . . 0.0 113.336 -165.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -68.87 -2.56 9.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.745 1.618 . . . . 0.0 114.771 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 8.2 mmmm -93.45 128.23 39.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -75.97 -6.51 51.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.317 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 119.96 39.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.053 2.141 . . . . 0.0 106.965 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.75 128.21 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG21 ' HD3' ' A' ' 14' ' ' LYS . 85.1 t -127.48 97.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 125.853 1.661 . . . . 0.0 106.8 -174.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 17' ' ' VAL . 11.6 tp -79.83 101.93 8.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.326 -176.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -81.94 118.79 23.24 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.717 0.69 . . . . 0.0 110.882 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.2 mt -105.88 16.09 25.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.252 2.221 . . . . 0.0 112.279 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 8.5 t -58.82 -19.33 40.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.071 1.748 . . . . 0.0 114.053 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -92.48 -41.8 10.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.466 1.507 . . . . 0.0 110.142 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.3 t -64.35 115.42 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.314 1.046 . . . . 0.0 109.802 -162.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -95.86 -14.38 23.24 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.316 1.046 . . . . 0.0 112.307 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -154.12 140.32 18.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.918 0.781 . . . . 0.0 110.772 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.9 ttm -138.61 119.2 13.94 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.842 1.657 . . . . 0.0 109.115 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -84.04 176.36 8.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.277 0.561 . . . . 0.0 111.061 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.19 75.09 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 123.897 0.879 . . . . 0.0 112.026 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.4 93.51 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 125.159 1.361 . . . . 0.0 111.666 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD21 HG22 ' A' ' 91' ' ' ILE . 6.1 mt -59.56 -51.63 69.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.787 0.835 . . . . 0.0 109.407 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.46 72.3 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.701 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.8 m -59.4 -46.91 87.38 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.321 1.061 . . . . 0.0 109.011 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.46 -33.4 69.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.696 1.589 . . . . 0.0 111.931 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.74 -33.92 62.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.162 -0.961 . . . . 0.0 110.542 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.05 -53.58 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 108.621 170.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.492 HG21 HD12 ' A' ' 35' ' ' LEU . 1.5 mm -51.77 -40.87 28.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.461 1.504 . . . . 0.0 109.414 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.405 HD21 ' HE3' ' A' ' 73' ' ' LYS . 2.8 tm? -62.28 -54.38 41.49 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.302 -0.874 . . . . 0.0 112.358 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -40.34 19.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.125 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -44.67 91.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.936 0.894 . . . . 0.0 112.003 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.83 60.42 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 125.225 1.41 . . . . 0.0 110.615 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HE3' HD21 ' A' ' 69' ' ' LEU . 5.7 mmtp -70.87 -33.78 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.507 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mt -53.67 -61.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.053 0.941 . . . . 0.0 108.658 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -72.37 -6.49 43.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.211 1.004 . . . . 0.0 112.528 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.45 58.73 7.47 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 127.117 2.294 . . . . 0.0 113.432 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' HE2' HG23 ' A' ' 42' ' ' THR . 0.7 OUTLIER -146.17 171.03 15.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 119.094 1.447 . . . . 0.0 113.184 177.291 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -101.78 97.55 7.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.623 1.569 . . . . 0.0 108.707 -169.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -85.65 120.19 26.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.22 0.608 . . . . 0.0 109.8 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 19.4 mt -130.46 160.29 41.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.471 1.909 . . . . 0.0 108.214 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -120.27 169.98 9.77 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.571 -0.706 . . . . 0.0 110.325 177.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 104' ' ' THR . 40.6 t -156.09 162.39 40.27 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.941 0.496 . . . . 0.0 111.86 -167.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 m 60.53 43.9 12.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.043 1.737 . . . . 0.0 114.738 167.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -60.88 102.21 0.18 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 128.591 2.756 . . . . 0.0 111.78 -174.174 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 52' ' ' SER . 14.8 mttm -67.12 164.39 18.1 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.128 168.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -29.85 69.87 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -165.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -70.73 -68.91 0.4 Allowed 'General case' 0 C--N 1.341 0.226 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.49 -58.74 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 125.912 1.685 . . . . 0.0 108.434 -169.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 t -31.34 -68.59 0.08 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.542 1.537 . . . . 0.0 111.044 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -40.87 65.11 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.683 1.593 . . . . 0.0 111.578 -176.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.455 HG22 HD21 ' A' ' 62' ' ' LEU . 78.3 mt -67.13 -36.92 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 126.529 1.932 . . . . 0.0 109.278 -174.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -63.25 -43.86 96.81 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 120.941 -1.1 . . . . 0.0 108.846 173.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -19.52 64.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.6 -62.05 2.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.378 1.899 . . . . 0.0 109.456 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 7.02 3.56 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.685 1.594 . . . . 0.0 112.542 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.0 m80 49.87 35.13 8.78 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.814 1.645 . . . . 0.0 112.909 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 100' ' ' ILE . 95.1 mt -74.56 -19.43 60.34 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.46 -8.56 14.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 127.696 2.398 . . . . 0.0 114.595 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -107.53 -10.01 15.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.653 1.181 . . . . 0.0 112.831 169.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.429 HD12 HD23 ' A' ' 97' ' ' LEU . 83.3 mt -95.1 -59.5 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -90.16 18.68 5.68 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.245 1.018 . . . . 0.0 111.258 175.298 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.505 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 8.7 ttpp 47.81 -155.98 0.06 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.323 -0.861 . . . . 0.0 109.849 -169.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.519 HG12 HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -171.48 156.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 126.394 1.878 . . . . 0.0 109.03 159.293 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.505 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 62.0 p -149.02 104.07 3.4 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.26 -25.49 67.87 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.073 -1.017 . . . . 0.0 111.8 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -133.84 153.73 51.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.984 1.714 . . . . 0.0 109.395 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.35 -27.14 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.585 -0.697 . . . . 0.0 111.28 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.58 -16.55 62.3 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.468 1.107 . . . . 0.0 111.36 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -81.96 -10.46 59.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.427 1.012 . . . . 0.0 112.072 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.161 1.384 . . . . 0.0 111.125 177.129 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtm . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -153.31 108.8 3.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.206 1.002 . . . . 0.0 109.468 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -77.29 159.71 29.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.733 -0.604 . . . . 0.0 109.533 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.34 135.6 38.65 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.032 1.333 . . . . 0.0 110.296 172.461 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -133.05 162.25 32.22 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.699 0.799 . . . . 0.0 110.789 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD22 HG11 ' A' ' 17' ' ' VAL . 61.7 mt -143.56 103.22 4.06 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.127 1.771 . . . . 0.0 107.903 -169.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 84.35 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.9 mt -78.73 126.45 38.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.28 126.1 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 109.827 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.98 31.04 1.6 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.926 2.091 . . . . 0.0 112.693 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -72.24 -4.88 32.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.471 1.509 . . . . 0.0 114.537 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 -83.12 0.6 Allowed 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.28 -2.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.058 0.943 . . . . 0.0 113.146 -160.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -147.41 125.43 12.07 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 120.046 1.294 . . . . 0.0 108.886 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.89 87.91 5.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.044 1.338 . . . . 0.0 109.326 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.08 152.8 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.609 ' HB ' HD12 ' A' ' 49' ' ' LEU . 3.9 t -133.01 114.45 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 166.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.7 mtp85 -85.27 97.44 9.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.24 132.99 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -121.28 16.9 11.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -157.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.85 167.87 40.8 Favored Glycine 0 C--N 1.316 -0.578 0 O-C-N 121.011 -1.056 . . . . 0.0 111.256 -172.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -74.0 176.55 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 -170.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.485 HD12 HG11 ' A' ' 54' ' ' VAL . 90.3 mt -134.45 60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.71 -179.42 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 119.765 -1.834 . . . . 0.0 108.751 166.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.93 -10.83 10.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 120.65 -1.282 . . . . 0.0 113.689 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.52 -20.01 44.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.865 0.866 . . . . 0.0 111.878 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -127.93 -44.02 1.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 124.515 1.126 . . . . 0.0 110.734 -163.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -50.25 -47.37 55.16 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 125.31 1.444 . . . . 0.0 109.436 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.73 -40.79 6.29 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.265 2.226 . . . . 0.0 113.615 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -93.95 -44.78 7.91 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 120.256 1.389 . . . . 0.0 110.97 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.61 HD23 HG21 ' A' ' 64' ' ' THR 0.253 0.4 OUTLIER -48.15 -34.78 10.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.585 1.154 . . . . 0.0 109.842 166.41 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HG3' HG23 ' A' ' 64' ' ' THR . 12.2 ttpt -68.12 -59.29 3.35 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.111 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.85 -0.86 6.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 120.047 1.294 . . . . 0.0 113.89 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -109.93 -40.78 4.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.15 1.78 . . . . 0.0 109.381 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.23 -31.64 71.27 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 120.396 -1.44 . . . . 0.0 111.376 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -67.0 -12.35 59.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.027 1.331 . . . . 0.0 111.477 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' HG22 ' A' ' 41' ' ' THR . 4.2 m-20 -93.56 -55.43 3.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.149 -0.969 . . . . 0.0 110.377 170.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CE2' HG21 ' A' ' 17' ' ' VAL . 2.8 t80 -35.87 -60.05 0.55 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 128.816 2.846 . . . . 0.0 110.9 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.84 -27.2 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -85.31 -4.83 59.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.943 2.097 . . . . 0.0 112.102 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 37' ' ' ASN . 5.1 t -144.94 43.12 1.33 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.637 1.562 . . . . 0.0 111.71 -169.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t -133.65 -13.58 2.57 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.073 -1.642 . . . . 0.0 114.637 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t 60.35 -22.61 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.167 2.187 . . . . 0.0 115.718 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -78.48 128.57 33.76 Favored 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 119.751 -1.843 . . . . 0.0 106.979 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.78 -17.02 64.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.419 168.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 117.53 31.17 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.63 1.104 . . . . 0.0 109.572 -174.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.0 134.54 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 129.173 2.989 . . . . 0.0 107.417 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -136.32 93.88 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.286 2.634 . . . . 0.0 108.226 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.609 HD12 ' HB ' ' A' ' 17' ' ' VAL . 9.2 tp -79.91 102.05 8.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.17 101.74 12.72 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.133 1.773 . . . . 0.0 109.04 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 18.02 5.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 3.3 t -60.1 -19.05 51.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.312 1.869 . . . . 0.0 115.424 -169.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -84.78 -40.36 17.31 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.694 1.133 . . . . 0.0 109.163 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.485 HG11 HD12 ' A' ' 23' ' ' ILE . 7.2 t -66.27 131.82 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 108.124 -166.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -51.02 2.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.112 1.765 . . . . 0.0 109.584 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -99.49 142.49 30.9 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.4 ttm -146.15 115.5 7.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.878 1.671 . . . . 0.0 107.61 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.55 179.21 7.6 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 0.0 112.065 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.35 76.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.8 -53.14 43.22 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.681 1.134 . . . . 0.0 113.676 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 97' ' ' LEU . 19.2 tp -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.242 1.021 . . . . 0.0 109.722 -169.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.83 -14.12 78.42 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-O 117.507 -1.719 . . . . 0.0 113.826 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.61 HG21 HD23 ' A' ' 31' ' ' LEU . 54.2 m -66.52 -45.23 80.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 120.135 1.968 . . . . 0.0 108.599 168.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.42 -29.56 69.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.887 1.676 . . . . 0.0 111.205 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -66.95 -39.91 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 124.298 1.039 . . . . 0.0 110.657 173.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.7 t -58.93 -47.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 120.568 -1.333 . . . . 0.0 109.944 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.64 -38.69 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.806 0.842 . . . . 0.0 109.354 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.38 -53.05 62.71 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.263 -0.398 . . . . 0.0 110.033 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -51.75 -41.65 61.73 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -35.84 80.02 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.84 66.01 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.467 0.707 . . . . 0.0 110.17 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -31.2 62.73 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 117.749 -1.119 . . . . 0.0 112.005 -175.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.2 mt -51.81 -57.6 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.098 1.359 . . . . 0.0 108.675 165.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.37 -9.6 58.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.341 0.656 . . . . 0.0 112.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.6 36.04 49.85 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.763 1.649 . . . . 0.0 115.013 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -123.47 -174.72 3.03 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 121.155 2.477 . . . . 0.0 113.51 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.86 163.89 12.61 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.406 1.483 . . . . 0.0 108.502 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -156.08 110.31 2.81 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.897 1.679 . . . . 0.0 108.026 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 102' ' ' LYS . 9.4 mt -128.13 149.28 32.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.012 -173.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 HG13 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -107.57 170.6 7.88 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.752 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -168.59 157.01 8.36 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -159.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 7.0 m 51.75 47.99 23.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.632 1.573 . . . . 0.0 113.404 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD21 HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -54.6 133.71 46.58 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.964 2.906 . . . . 0.0 110.086 177.566 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -87.81 159.19 18.52 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 116.94 -1.505 . . . . 0.0 109.429 162.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.47 -43.42 45.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.372 1.442 . . . . 0.0 111.694 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -68.48 0.36 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.645 1.178 . . . . 0.0 109.103 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.495 ' HA ' HD12 ' A' ' 91' ' ' ILE . 23.3 mm -47.69 -58.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 127.732 2.413 . . . . 0.0 109.336 -176.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -38.87 -60.32 0.86 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.654 1.581 . . . . 0.0 110.97 174.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 5.1 ttm180 -59.15 -50.65 73.23 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.854 -172.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 88' ' ' ILE . 13.6 mt -51.56 -34.41 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.117 1.767 . . . . 0.0 109.923 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.59 -45.31 65.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.015 -1.053 . . . . 0.0 109.252 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -66.71 -18.11 65.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.135 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.82 -63.9 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 120.851 1.66 . . . . 0.0 110.761 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -81.11 22.43 0.64 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.641 0.655 . . . . 0.0 111.052 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m170 38.78 42.27 0.6 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 127.017 2.127 . . . . 0.0 113.738 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 62' ' ' LEU . 84.2 mt -66.29 -24.4 66.55 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.787 0.835 . . . . 0.0 109.649 176.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.84 -14.03 57.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.469 1.908 . . . . 0.0 114.386 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -111.99 8.85 20.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.566 0.746 . . . . 0.0 111.987 171.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.457 HD12 HD23 ' A' ' 97' ' ' LEU . 31.2 mt -105.72 -67.73 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 172.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.65 11.79 3.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.272 2.229 . . . . 0.0 112.74 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' HB3' HG23 ' A' ' 80' ' ' ILE . 1.7 ttpp 51.76 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.131 0.973 . . . . 0.0 110.484 -170.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.606 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -165.95 156.24 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 123.935 0.894 . . . . 0.0 110.036 161.333 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 82.5 p -137.29 146.39 44.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -46.19 67.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 121.192 -0.943 . . . . 0.0 109.386 168.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 74.4 p -141.03 164.81 29.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.23 1.812 . . . . 0.0 109.354 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.45 HG22 ' H ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -44.13 -36.46 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 C-N-CA 127.43 2.292 . . . . 0.0 111.8 170.427 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.72 -27.64 68.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.661 0.6 . . . . 0.0 110.81 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -88.04 -0.63 57.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.975 0.51 . . . . 0.0 111.78 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.376 1.07 . . . . 0.0 111.5 -177.838 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -144.3 -177.99 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.964 1.305 . . . . 0.0 107.64 166.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m120 52.9 -175.01 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.891 1.276 . . . . 0.0 112.391 -172.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -94.14 139.97 30.33 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 120.951 -1.093 . . . . 0.0 109.264 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.99 173.02 12.02 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.155 1.782 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.501 HD22 HG11 ' A' ' 17' ' ' VAL . 24.4 mt -142.43 141.44 32.21 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.242 2.217 . . . . 0.0 105.115 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.78 84.8 2.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.4 mt -76.67 131.24 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 126.857 2.063 . . . . 0.0 106.937 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -138.06 133.82 44.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 118.885 0.766 . . . . 0.0 109.535 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 96.8 mt-10 -128.27 100.3 5.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.91 0.884 . . . . 0.0 109.37 -176.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -131.51 -87.21 0.48 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.645 0.657 . . . . 0.0 111.034 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.28 83.48 0.37 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 163.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.5 OUTLIER 40.87 -5.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.245 1 C-N-CA 133.81 4.844 . . . . 0.0 119.161 171.398 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.615 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 4.7 mttp -88.07 168.27 12.95 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 130.03 3.332 . . . . 0.0 108.596 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . . . -117.55 87.87 2.8 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 128.822 2.849 . . . . 0.0 108.419 159.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.75 152.45 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG11 HD22 ' A' ' 6' ' ' LEU . 6.4 t -133.02 122.12 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 158.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -80.43 98.63 7.6 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 170.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.87 135.15 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -135.5 87.11 2.29 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.535 0.734 . . . . 0.0 110.353 -163.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.2 177.34 33.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.47 122.75 48.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.38 164.09 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -172.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 168.44 179.95 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 131.344 3.858 . . . . 0.0 105.836 168.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.96 4.09 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.549 1.522 . . . . 0.0 113.491 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -6.28 57.78 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.652 1.181 . . . . 0.0 113.161 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -137.17 -32.57 0.78 Allowed 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 126.081 1.752 . . . . 0.0 113.489 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 p -59.95 -33.39 71.85 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.198 1.817 . . . . 0.0 109.58 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -57.71 7.94 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 130.613 3.565 . . . . 0.0 110.265 169.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.11 -43.86 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.039 0.836 . . . . 0.0 111.503 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -53.54 -29.23 35.81 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 117.049 -1.453 . . . . 0.0 109.994 171.293 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HA ' HG23 ' A' ' 64' ' ' THR . 5.3 ttpt -63.81 -60.61 3.06 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.901 1.682 . . . . 0.0 111.882 170.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.401 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 10.3 pt-20 -73.66 -25.72 60.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.284 -163.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -75.63 -38.64 58.77 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -64.9 -40.68 95.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 172.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -62.04 -45.63 92.7 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.135 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.55 -47.86 82.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 118.837 0.744 . . . . 0.0 110.959 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -49.97 -45.11 51.17 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.497 ' HA ' HG22 ' A' ' 42' ' ' THR . 4.9 mm -64.68 -33.27 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 O-C-N 121.66 -0.65 . . . . 0.0 111.687 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -80.85 -10.31 59.73 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.83 173.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.7 p -88.91 -49.84 6.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.169 1.804 . . . . 0.0 108.726 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.2 t -62.22 103.3 0.37 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.372 1.469 . . . . 0.0 112.963 -160.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -71.05 14.37 0.15 Allowed 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 113.845 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 10' ' ' GLU . 5.3 mmmm -103.91 155.29 18.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.05 2.14 . . . . 0.0 108.552 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -89.09 3.99 49.94 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.683 -0.635 . . . . 0.0 112.409 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.42 123.34 13.51 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 119.902 1.228 . . . . 0.0 108.934 -169.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.0 143.02 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -126.07 93.62 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 165.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD21 HD11 ' A' ' 35' ' ' LEU . 7.7 tp -79.75 99.87 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -174.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 110.24 19.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.125 2.57 . . . . 0.0 110.758 -170.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.9 7.99 36.87 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -160.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 2.6 t -63.37 -16.12 59.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.129 1.332 . . . . 0.0 113.845 -167.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -80.59 -20.82 42.44 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.529 1.513 . . . . 0.0 111.56 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 t -99.89 122.68 52.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 126.18 1.792 . . . . 0.0 108.2 -164.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -113.07 -42.33 3.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 119.522 1.055 . . . . 0.0 111.384 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -100.61 140.59 34.67 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.092 0.86 . . . . 0.0 109.734 -173.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.8 ttm -154.43 128.9 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.023 1.729 . . . . 0.0 109.827 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -100.92 -179.18 3.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.606 1.962 . . . . 0.0 109.852 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.4 63.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 121.059 1.754 . . . . 0.0 110.26 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.05 97.22 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.504 1.049 . . . . 0.0 112.303 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' A' ' 62' ' ' LEU . 8.8 mt -64.12 -59.77 4.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 117.892 0.846 . . . . 0.0 109.16 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.29 -17.16 59.04 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.788 -1.007 . . . . 0.0 114.174 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.477 HG21 HD23 ' A' ' 31' ' ' LEU . 7.9 m -57.61 -52.23 66.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 119.981 1.891 . . . . 0.0 108.894 165.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.62 -31.14 70.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 120.082 1.31 . . . . 0.0 111.449 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.85 -23.95 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.204 1.002 . . . . 0.0 110.857 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -68.07 -47.1 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.911 1.284 . . . . 0.0 109.408 162.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.568 HG21 HD12 ' A' ' 35' ' ' LEU . 3.4 mm -66.18 -33.68 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.72 -52.02 63.77 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.032 -1.043 . . . . 0.0 109.856 168.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.27 -44.82 61.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.265 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -67.14 -37.63 84.16 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.795 0.684 . . . . 0.0 110.646 -179.15 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.56 83.7 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.003 0.819 . . . . 0.0 111.157 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -74.08 -32.33 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 117.833 -1.08 . . . . 0.0 111.6 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.07 -59.83 2.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 34.3 m-80 -79.06 3.59 16.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.17 -173.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.55 60.4 5.45 Favored Glycine 0 C--N 1.319 -0.391 0 C-N-CA 127.508 2.48 . . . . 0.0 113.026 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -143.33 169.22 18.05 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.278 1.039 . . . . 0.0 113.133 -179.545 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.67 163.21 19.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.41 1.884 . . . . 0.0 108.877 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -148.97 126.02 11.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.06 1.744 . . . . 0.0 106.849 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.693 ' C ' HD13 ' A' ' 81' ' ' LEU . 46.6 mt -152.88 146.82 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 127.591 2.356 . . . . 0.0 105.123 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.693 HD13 ' C ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -119.71 167.11 12.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.412 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.77 166.75 25.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.021 1.329 . . . . 0.0 113.11 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 15.7 m 57.42 43.49 23.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.624 1.97 . . . . 0.0 112.798 158.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.54 HD21 HD11 ' A' ' 103' ' ' ILE . 14.1 mt -53.58 109.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 130.377 3.471 . . . . 0.0 111.414 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -69.33 96.93 0.91 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 157.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 23.97 -79.44 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.171 2.188 . . . . 0.0 115.42 155.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -41.26 -66.02 0.38 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.41 1.884 . . . . 0.0 112.378 171.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.3 -60.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 C-N-CA 127.018 2.127 . . . . 0.0 107.38 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.1 t -32.34 -56.86 0.33 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 120.204 1.366 . . . . 0.0 111.245 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 31.7 mtt-85 -62.2 -46.57 88.29 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.115 -1.615 . . . . 0.0 113.893 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.03 -35.57 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 119.606 1.094 . . . . 0.0 110.08 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.4 mm? -66.62 -48.69 68.69 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.754 -1.216 . . . . 0.0 109.255 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 4.6 mppt? -56.38 -33.06 65.37 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 117.184 -1.389 . . . . 0.0 114.51 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -52.86 -58.96 5.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.611 1.55 . . . . 0.0 110.274 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.2 m -82.86 13.11 4.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.677 1.191 . . . . 0.0 110.766 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.7 m80 51.52 21.39 1.25 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.94 1.696 . . . . 0.0 113.059 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.709 HD23 HD12 ' A' ' 100' ' ' ILE . 65.9 mt -64.98 -26.84 68.47 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.695 0.798 . . . . 0.0 110.891 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -17.96 1.59 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.25 1.82 . . . . 0.0 113.489 166.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -107.67 -14.86 14.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.581 1.552 . . . . 0.0 112.119 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.709 HD12 HD23 ' A' ' 97' ' ' LEU . 85.8 mt -90.89 -50.01 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 126.102 1.761 . . . . 0.0 106.877 -174.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 8.6 m-85 -95.5 5.11 52.4 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 127.948 2.499 . . . . 0.0 111.813 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.35 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.591 -0.693 . . . . 0.0 109.222 -154.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.54 HD11 HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -168.11 160.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 126.511 1.925 . . . . 0.0 106.218 158.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 p -132.11 141.9 49.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -31.14 70.08 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 120.39 -1.444 . . . . 0.0 109.505 169.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.1 p -143.12 156.26 44.76 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.231 1.012 . . . . 0.0 111.55 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.6 -21.27 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.593 0.757 . . . . 0.0 111.389 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.45 -16.57 63.95 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.195 1.398 . . . . 0.0 112.108 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.91 -4.56 46.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.468 1.031 . . . . 0.0 113.336 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.615 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.242 0.694 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -138.82 177.5 7.84 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.2 t30 62.82 -82.15 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 127.307 2.243 . . . . 0.0 111.863 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.24 137.48 32.31 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.188 1.395 . . . . 0.0 108.082 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.71 149.84 41.05 Favored 'General case' 0 N--CA 1.461 0.125 0 C-N-CA 123.384 0.674 . . . . 0.0 110.103 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -115.53 134.48 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.98 81.34 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.669 0.787 . . . . 0.0 109.409 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.2 mt -82.62 123.65 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.19 1.396 . . . . 0.0 109.129 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.51 147.91 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 127.605 2.362 . . . . 0.0 107.483 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -131.18 82.59 2.05 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -135.77 164.04 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 46.73 37.75 5.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.549 1.54 . . . . 0.0 111.609 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.2 16.4 10.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 128.967 2.907 . . . . 0.0 114.152 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -133.43 137.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.826 1.65 . . . . 0.0 107.715 -169.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.61 113.29 20.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mt -120.07 126.11 74.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.625 HG13 HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -132.72 109.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -169.591 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -77.23 101.58 6.29 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.0 t -72.83 112.98 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 125.252 1.421 . . . . 0.0 108.072 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -113.65 122.32 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.95 1.7 . . . . 0.0 107.01 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.86 177.16 14.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.03 1.3 . . . . 0.0 111.223 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.81 111.52 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.336 1.854 . . . . 0.0 109.581 -164.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -83.59 62.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.206 1.402 . . . . 0.0 110.041 -153.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -81.77 175.93 10.03 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.037 -1.664 . . . . 0.0 109.298 165.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -8.19 4.67 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.171 -1.581 . . . . 0.0 114.306 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -81.33 -4.62 56.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.714 1.143 . . . . 0.0 111.791 170.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -138.24 -44.94 0.51 Allowed 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.771 1.228 . . . . 0.0 111.265 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -47.77 -39.0 16.78 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.895 1.678 . . . . 0.0 111.292 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -54.16 45.88 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 128.446 2.698 . . . . 0.0 112.021 172.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.26 -43.89 12.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.408 -1.432 . . . . 0.0 112.265 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD23 HG21 ' A' ' 64' ' ' THR . 3.6 tt -47.42 -34.31 7.03 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.361 1.065 . . . . 0.0 110.061 165.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -68.96 -54.17 16.79 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 119.763 1.165 . . . . 0.0 110.73 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.64 -28.94 66.15 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.409 1.084 . . . . 0.0 111.032 -173.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -96.26 -36.86 10.76 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.858 1.263 . . . . 0.0 108.912 -169.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD13 HD21 ' A' ' 49' ' ' LEU . 18.0 mt -72.1 -34.84 68.95 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.582 173.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -57.99 8.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 166.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -40.54 95.8 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.912 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -51.51 -50.51 59.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.549 1.14 . . . . 0.0 110.551 175.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.07 -29.11 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.915 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -23.7 61.77 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.909 1.284 . . . . 0.0 112.736 174.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -92.39 -60.51 1.82 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 120.407 1.458 . . . . 0.0 108.098 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -58.32 122.92 14.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.66 0.743 . . . . 0.0 111.99 -153.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.6 p -65.46 -9.57 26.76 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.841 -1.162 . . . . 0.0 113.999 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -78.76 119.84 22.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -75.36 6.9 3.98 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.049 -0.407 . . . . 0.0 111.619 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.65 125.42 33.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.109 1.763 . . . . 0.0 106.561 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.17 137.74 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.91 99.85 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 126.84 2.056 . . . . 0.0 105.948 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD12 HG13 ' A' ' 17' ' ' VAL . 8.4 tp -84.13 83.75 7.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.203 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.77 104.78 2.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.666 0.787 . . . . 0.0 111.151 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.04 18.07 7.21 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.567 0.747 . . . . 0.0 112.45 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -62.31 -15.79 50.06 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.8 m -107.98 -11.44 15.32 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.519 1.054 . . . . 0.0 112.339 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.05 144.43 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 119.445 1.02 . . . . 0.0 108.26 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -141.92 -39.87 0.37 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.161 . . . . 0.0 111.253 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -104.75 149.38 25.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.032 0.933 . . . . 0.0 109.352 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.3 ttp -157.83 123.71 4.66 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.705 1.202 . . . . 0.0 110.847 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.51 169.14 18.46 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.724 1.61 . . . . 0.0 110.069 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.61 -54.31 45.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.673 0.789 . . . . 0.0 109.267 168.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.53 -34.69 49.86 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.284 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 62' ' ' LEU . 10.6 tp -76.2 -17.66 59.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.251 1.02 . . . . 0.0 113.602 -173.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.71 -34.44 7.82 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 118.657 -1.08 . . . . 0.0 110.872 164.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.463 HG21 HD23 ' A' ' 31' ' ' LEU . 30.9 m -56.49 -52.36 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.526 1.663 . . . . 0.0 111.294 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.85 -28.02 67.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 122.612 2.46 . . . . 0.0 111.795 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.78 -35.06 63.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 121.533 -0.729 . . . . 0.0 110.632 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.92 -50.85 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 120.849 -1.157 . . . . 0.0 109.008 165.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.495 0.718 . . . . 0.0 109.398 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.9 tm? -62.89 -52.41 63.21 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.686 -0.633 . . . . 0.0 110.56 174.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -52.49 -36.23 54.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.218 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -36.78 74.66 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.692 0.678 . . . . 0.0 112.194 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.5 65.29 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.619 1.168 . . . . 0.0 110.252 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -72.89 -30.65 64.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 117.111 -1.423 . . . . 0.0 112.519 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.91 -58.67 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 119.923 1.238 . . . . 0.0 108.233 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -73.86 -3.24 27.58 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.46 59.02 11.38 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 126.73 2.109 . . . . 0.0 112.123 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.13 170.58 15.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 117.772 0.786 . . . . 0.0 111.091 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.82 161.01 31.25 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 166.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -139.2 113.9 9.2 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 164.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 15.6 mt -124.84 150.08 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -89.4 -139.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.0 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.5 t 164.84 167.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.32 3.048 . . . . 0.0 109.781 154.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m 61.34 61.37 1.54 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.034 2.134 . . . . 0.0 113.076 165.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -78.44 112.55 15.59 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.129 2.572 . . . . 0.0 112.122 -175.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -76.07 142.38 41.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 117.218 -1.372 . . . . 0.0 108.125 165.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -34.1 -54.29 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.324 1.849 . . . . 0.0 114.579 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -62.15 -62.48 1.75 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.104 0.865 . . . . 0.0 111.848 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.8 mm -49.89 -53.73 9.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 107.88 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.437 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 6.1 t -40.54 -58.52 1.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.642 1.977 . . . . 0.0 110.051 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -51.71 -54.17 31.26 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 123.862 0.865 . . . . 0.0 110.859 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.435 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 64.2 mt -56.84 -39.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 126.967 2.107 . . . . 0.0 109.376 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.28 -44.08 92.79 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 120.585 -1.322 . . . . 0.0 109.89 174.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' A' ' 89' ' ' SER . 1.5 mppt? -67.74 -26.32 66.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 7.3 mt -57.67 -58.14 9.66 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.213 1.405 . . . . 0.0 110.797 -174.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.45 19.47 2.79 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.818 0.735 . . . . 0.0 111.109 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.3 m170 46.87 34.86 2.84 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 126.373 1.869 . . . . 0.0 113.43 -170.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.39 -29.53 70.6 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.726 0.811 . . . . 0.0 109.336 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.55 -11.01 2.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.362 2.265 . . . . 0.0 116.034 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -113.0 -5.99 13.76 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.887 1.676 . . . . 0.0 112.67 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.77 -65.2 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -84.44 16.3 3.19 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 126.903 2.081 . . . . 0.0 111.932 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 47.23 -168.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.596 1.089 . . . . 0.0 110.676 -168.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.507 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -161.99 161.09 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.59 155.341 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 109' ' ' GLU . 61.7 p -146.38 150.72 36.22 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 108.885 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.34 -34.22 65.52 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 163.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -144.75 157.11 44.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 123.005 0.522 . . . . 0.0 110.254 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.51 -39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 127.901 2.48 . . . . 0.0 111.542 161.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -59.04 -26.49 64.62 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.227 0.611 . . . . 0.0 111.198 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 104' ' ' THR . 1.0 OUTLIER -100.22 4.31 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.271 1.428 . . . . 0.0 111.706 -174.677 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.167 -174.228 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -156.69 155.17 31.26 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.87 -37.62 79.86 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.063 0.945 . . . . 0.0 109.792 164.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.62 121.93 14.58 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.056 0.542 . . . . 0.0 109.994 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 162.38 32.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.26 1.024 . . . . 0.0 109.519 169.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -145.84 105.81 4.01 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.18 83.72 1.81 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -167.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 mt -83.9 133.91 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.865 2.066 . . . . 0.0 108.278 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 11' ' ' GLN . 71.0 t -135.24 143.3 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 126.259 1.824 . . . . 0.0 108.53 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -136.19 37.47 2.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.68 1.992 . . . . 0.0 109.126 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' H ' HG12 ' A' ' 9' ' ' VAL . 51.8 mt-30 -60.64 -11.69 8.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.452 1.101 . . . . 0.0 113.029 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -142.71 -175.47 4.5 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.382 2.673 . . . . 0.0 105.95 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -68.87 4.81 1.32 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -174.155 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -114.31 123.23 48.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.13 112.86 16.76 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.149 0.98 . . . . 0.0 108.61 169.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -122.46 126.25 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 106.617 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -127.86 108.46 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -172.415 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -69.18 95.05 0.72 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 124.068 0.947 . . . . 0.0 109.154 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 t -67.65 131.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 164.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.3 113.19 12.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.96 -164.43 38.08 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -144.14 15.22 1.69 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.751 1.275 . . . . 0.0 112.891 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.267 32.8 mt 40.74 70.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.612 1 C-N-CA 133.15 4.58 . . . . 0.0 113.362 171.827 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -109.06 -174.98 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 127.85 2.46 . . . . 0.0 108.947 172.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.22 -10.71 60.14 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.475 -1.39 . . . . 0.0 114.559 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -5.05 45.81 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.781 -1.199 . . . . 0.0 111.646 171.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -143.67 -41.61 0.29 Allowed 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.522 -160.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -61.12 -39.44 90.03 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.638 1.108 . . . . 0.0 108.863 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.94 -50.23 5.84 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.544 1.937 . . . . 0.0 112.217 164.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -55.61 3.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.807 1.243 . . . . 0.0 109.942 -170.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tt -44.73 -33.55 1.91 Allowed 'General case' 0 CA--C 1.511 -0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 110.192 169.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -67.05 -56.59 9.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 120.074 1.306 . . . . 0.0 112.014 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.55 -26.78 65.58 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 118.662 0.665 . . . . 0.0 110.794 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -81.21 -38.06 27.62 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.483 1.113 . . . . 0.0 108.82 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -63.17 -35.85 81.66 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.724 166.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.16 70.21 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -54.76 29.33 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.368 1.067 . . . . 0.0 110.19 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 t80 -49.25 -60.47 2.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.041 2.137 . . . . 0.0 110.341 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.466 HG23 ' HD3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -61.87 -27.42 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.45 -173.252 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 m -78.98 -49.09 13.3 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.894 1.679 . . . . 0.0 112.228 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.4 14.56 1.2 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.866 1.667 . . . . 0.0 112.361 -164.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 t -121.79 118.0 27.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.664 1.586 . . . . 0.0 109.243 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 11.02 0.43 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.942 1.697 . . . . 0.0 111.946 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -110.21 119.03 37.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 119.619 -1.926 . . . . 0.0 106.982 -164.032 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.86 -33.91 76.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.822 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.537 ' H ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.42 140.29 31.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 178.521 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.0 mm -126.1 124.03 65.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -111.86 103.31 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 174.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 17' ' ' VAL . 9.0 tp -84.66 101.85 12.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -84.87 119.39 25.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 mt -111.81 19.98 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.546 0.338 . . . . 0.0 111.684 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -55.42 -22.43 20.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.108 1.763 . . . . 0.0 114.119 -170.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -108.67 -6.5 15.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.327 1.051 . . . . 0.0 112.914 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -92.57 135.99 26.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -130.31 -40.19 1.29 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.529 0.732 . . . . 0.0 112.214 -174.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -75.48 -78.86 0.1 Allowed 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.998 0.919 . . . . 0.0 110.25 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.8 ttp 52.91 125.32 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 0 C-N-CA 128.442 2.697 . . . . 0.0 115.363 -163.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -94.82 177.38 5.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.975 2.11 . . . . 0.0 110.657 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.7 89.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.405 0.682 . . . . 0.0 110.202 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.9 -42.59 53.9 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 125.769 1.652 . . . . 0.0 113.115 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 62' ' ' LEU . 11.7 tp -75.78 -16.62 60.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.32 -36.64 5.86 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 118.231 -1.316 . . . . 0.0 110.631 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -52.47 -50.81 61.95 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 119.992 1.896 . . . . 0.0 110.244 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.47 -29.55 66.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.866 2.121 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.71 -28.75 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 O-C-N 121.168 -0.957 . . . . 0.0 109.899 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.62 -53.28 49.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.639 -1.288 . . . . 0.0 108.862 165.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 35' ' ' LEU . 2.3 mm -54.72 -39.06 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 125.574 1.55 . . . . 0.0 108.968 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD11 ' HE3' ' A' ' 73' ' ' LYS . 38.0 tp -63.78 -49.5 72.7 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 120.532 -1.355 . . . . 0.0 111.039 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -54.14 -35.53 62.32 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -68.86 -42.84 76.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.73 1.212 . . . . 0.0 112.099 176.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.67 72.28 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.881 0.872 . . . . 0.0 109.924 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 69' ' ' LEU . 22.1 mmtp -72.36 -33.68 67.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.279 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -53.5 -61.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.812 1.187 . . . . 0.0 108.498 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.36 -3.9 23.24 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.852 0.834 . . . . 0.0 111.88 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.06 58.04 13.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 129.53 3.443 . . . . 0.0 111.746 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.466 ' HD3' HG23 ' A' ' 39' ' ' ILE . 11.2 ptmt -141.6 -175.24 4.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.889 0.845 . . . . 0.0 111.902 -174.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -100.73 159.87 14.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.931 1.293 . . . . 0.0 107.546 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -151.9 108.15 3.42 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.4 mt -128.91 152.56 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.996 1.318 . . . . 0.0 109.025 -174.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.528 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -116.94 176.55 5.07 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 119.096 0.862 . . . . 0.0 108.933 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.26 169.36 16.03 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.77 -0.581 . . . . 0.0 110.34 -167.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m 43.5 64.61 1.19 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.936 1.695 . . . . 0.0 112.843 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.3 111.79 6.92 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.378 2.671 . . . . 0.0 108.292 177.155 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -69.17 158.24 35.3 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 156.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.45 -50.16 42.22 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.108 0.963 . . . . 0.0 111.067 -172.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.7 m -57.92 -68.19 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.999 2.12 . . . . 0.0 110.776 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.538 ' HA ' HD12 ' A' ' 91' ' ' ILE . 33.6 mm -52.87 -50.34 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.661 1.184 . . . . 0.0 109.899 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -42.14 -57.66 2.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 110.955 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -54.17 30.14 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.218 1.407 . . . . 0.0 110.292 -175.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 88' ' ' ILE . 46.5 mt -52.55 -44.65 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.285 2.234 . . . . 0.0 109.33 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 103' ' ' ILE . 16.0 mt -66.63 -33.68 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 120.858 -1.151 . . . . 0.0 109.991 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -24.05 55.01 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 168.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 16.8 mt -53.74 -68.18 0.2 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 120.951 1.705 . . . . 0.0 109.939 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -85.47 23.01 1.42 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.352 0.661 . . . . 0.0 111.212 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 50.76 34.67 10.47 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 124.663 1.185 . . . . 0.0 112.204 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 100' ' ' ILE . 87.0 mt -67.27 -26.86 66.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -64.76 -3.87 3.74 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.044 2.138 . . . . 0.0 113.479 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -106.32 -0.12 24.59 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 118.027 -2.921 . . . . 0.0 112.559 166.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.414 HD12 HD23 ' A' ' 97' ' ' LEU . 11.8 mt -111.13 -70.97 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -175.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.02 10.43 4.31 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.5 1.12 . . . . 0.0 112.128 173.571 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.574 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 6.7 ttpt 45.2 -153.4 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.025 0.93 . . . . 0.0 109.23 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.574 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.93 161.46 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 127.138 2.175 . . . . 0.0 107.586 171.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -139.36 157.03 46.58 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -42.54 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 164.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 p -136.06 164.94 26.85 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.16 -33.04 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.512 1.525 . . . . 0.0 110.573 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.55 -8.55 48.2 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.206 1.003 . . . . 0.0 112.31 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.08 9.72 28.3 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.988 1.267 . . . . 0.0 113.57 173.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.28 177.033 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -141.49 166.78 23.81 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 108.443 165.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -160.13 159.86 32.28 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.421 2.689 . . . . 0.0 105.911 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.18 142.21 35.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.394 1.078 . . . . 0.0 109.8 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -136.45 162.78 32.12 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.496 1.118 . . . . 0.0 111.541 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -141.89 95.98 2.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 128.097 2.559 . . . . 0.0 107.7 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 92.99 8.26 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 17' ' ' VAL . 10.1 mt -88.99 122.23 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 124.425 1.09 . . . . 0.0 108.196 -173.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 11' ' ' GLN . 13.8 t -139.87 118.22 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 124.997 1.319 . . . . 0.0 109.661 -169.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.8 -12.47 60.7 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' HG12 ' A' ' 9' ' ' VAL . 1.0 OUTLIER 38.25 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 130.954 3.702 . . . . 0.0 113.231 -174.607 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.96 117.27 11.91 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.868 1.213 . . . . 0.0 108.918 147.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 54.7 30.22 13.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.433 2.293 . . . . 0.0 115.073 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -147.89 114.55 6.02 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.761 -1.212 . . . . 0.0 107.809 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 88.83 5.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.27 151.88 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 38' ' ' PHE . 83.8 t -139.27 107.46 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -76.7 94.95 3.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' HB ' HD23 ' A' ' 51' ' ' LEU . 53.0 t -68.5 142.0 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -147.92 110.76 4.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.26 -162.06 34.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.89 103.29 3.88 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 54' ' ' VAL . 44.9 mt -76.65 111.64 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -161.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -144.92 -162.01 1.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 164.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -7.48 1.56 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -98.52 4.27 48.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 120.551 1.523 . . . . 0.0 112.576 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -148.52 -28.81 0.3 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 118.404 -0.807 . . . . 0.0 112.733 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -57.28 -44.66 84.22 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 120.501 1.501 . . . . 0.0 108.15 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.8 -27.67 52.4 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 126.413 1.885 . . . . 0.0 113.539 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.05 -43.91 3.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.784 2.034 . . . . 0.0 109.593 -170.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 64' ' ' THR . 1.0 OUTLIER -51.67 -33.82 35.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.837 -1.164 . . . . 0.0 109.397 167.098 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.43 -54.42 24.41 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 118.424 0.556 . . . . 0.0 111.965 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.75 -32.73 74.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.133 0.879 . . . . 0.0 110.909 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -83.99 -34.55 24.33 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -170.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.599 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -60.37 -44.44 95.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.022 164.026 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -56.84 -48.32 78.31 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.451 1.023 . . . . 0.0 109.164 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -51.79 -53.18 42.79 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 125.189 1.396 . . . . 0.0 110.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 17' ' ' VAL . 1.1 t80 -57.13 -56.04 26.92 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.894 1.677 . . . . 0.0 110.158 -176.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -37.59 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.617 1.967 . . . . 0.0 110.702 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -67.83 -50.95 53.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.391 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -77.96 -25.66 48.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.457 1.026 . . . . 0.0 111.146 -166.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -70.28 112.84 6.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.947 0.88 . . . . 0.0 110.505 -170.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 m -57.67 -19.38 26.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.694 0.798 . . . . 0.0 112.645 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -78.98 131.67 36.4 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -170.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -31.62 72.17 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.815 170.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -107.9 120.44 42.3 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.953 1.301 . . . . 0.0 109.356 -160.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 46' ' ' LYS . 1.8 mp -119.21 129.59 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 105.663 -1.976 . . . . 0.0 105.663 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.9 95.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HG ' HD21 ' A' ' 51' ' ' LEU . 6.3 tp -80.01 100.91 8.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -175.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.15 120.87 27.13 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 125.993 1.717 . . . . 0.0 108.452 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.566 HD21 ' HG ' ' A' ' 49' ' ' LEU . 1.9 mt -123.05 38.05 4.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -68.02 -27.99 67.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.1 -0.375 . . . . 0.0 111.022 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -82.81 -28.99 29.84 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.624 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 12.2 p -73.67 131.55 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.325 1.42 . . . . 0.0 111.596 -169.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 m -110.92 -27.03 8.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.577 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -110.61 145.32 38.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.105 1.32 . . . . 0.0 110.472 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 ttp -149.98 116.61 5.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.249 1.42 . . . . 0.0 108.976 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.87 172.06 11.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 127.032 2.133 . . . . 0.0 109.025 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.69 -28.12 69.18 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.544 1.065 . . . . 0.0 111.416 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.61 -34.85 73.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 124.222 0.915 . . . . 0.0 112.221 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 62' ' ' LEU . 5.0 mt -68.91 -53.83 18.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.428 1.114 . . . . 0.0 110.265 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.96 -29.41 59.12 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.97 -0.905 . . . . 0.0 111.628 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.558 HG21 HD23 ' A' ' 31' ' ' LEU . 99.5 m -58.74 -53.86 53.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.405 1.103 . . . . 0.0 109.485 172.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.75 -33.97 67.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.603 1.547 . . . . 0.0 110.933 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.88 -39.04 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.687 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.18 -55.54 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.854 1.207 . . . . 0.0 108.684 167.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.599 HG21 HD12 ' A' ' 35' ' ' LEU . 3.4 mm -55.34 -45.48 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.764 0.825 . . . . 0.0 109.138 -171.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.2 -54.79 41.66 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.496 0.718 . . . . 0.0 110.923 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -55.0 -30.97 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.386 0.275 . . . . 0.0 111.019 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.79 23.91 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.74 2.016 . . . . 0.0 111.639 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.64 -44.05 18.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.771 1.228 . . . . 0.0 111.911 172.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.15 -41.95 80.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 116.857 -1.544 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.93 -50.02 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 120.074 1.307 . . . . 0.0 109.168 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.86 -8.09 55.44 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -172.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.89 69.55 1.33 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 128.691 3.043 . . . . 0.0 110.475 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -145.72 169.69 17.99 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.83 107.98 19.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 130.057 3.343 . . . . 0.0 106.736 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -108.0 112.36 24.9 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 108.827 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.45 153.29 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 124.106 0.963 . . . . 0.0 108.433 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.6 173.45 6.61 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.901 0.88 . . . . 0.0 109.959 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.66 160.88 26.18 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.86 0.864 . . . . 0.0 111.243 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 m 59.62 50.45 7.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.56 1.544 . . . . 0.0 113.12 167.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 103' ' ' ILE . 9.1 mt -58.25 97.78 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 131.379 3.871 . . . . 0.0 112.289 -177.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -72.18 87.33 1.09 Allowed 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 127.153 2.181 . . . . 0.0 107.035 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 24.42 -76.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.124 3.37 . . . . 0.0 115.065 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.19 -66.37 0.36 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.639 1.176 . . . . 0.0 110.993 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.432 ' O ' HD23 ' A' ' 92' ' ' LEU . 3.8 mp -48.47 -58.63 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 125.291 1.436 . . . . 0.0 107.869 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.457 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 1.3 t -34.48 -60.38 0.42 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.723 1.601 . . . . 0.0 113.406 173.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -54.34 21.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.99 1.268 . . . . 0.0 110.943 173.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.572 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 67.9 mt -67.33 -23.67 30.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 124.695 1.198 . . . . 0.0 108.957 -161.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 88' ' ' ILE . 1.6 mm? -77.59 -44.28 28.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.9 -1.75 . . . . 0.0 108.918 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' A' ' 89' ' ' SER . 2.3 mppt? -70.79 -28.52 64.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 95' ' ' THR 0.306 0.1 OUTLIER -56.24 -36.59 68.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.871 1.269 . . . . 0.0 109.575 -173.943 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.646 ' N ' HD12 ' A' ' 94' ' ' LEU . 1.3 p -98.78 7.9 45.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.595 2.758 . . . . 0.0 112.829 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m170 59.08 22.48 10.57 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 120.256 -1.528 . . . . 0.0 113.427 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 100' ' ' ILE . 84.3 mt -71.15 -13.64 62.01 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.495 -1.378 . . . . 0.0 110.288 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.91 -14.96 25.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.86 2.064 . . . . 0.0 114.76 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -111.17 -0.83 16.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.774 0.83 . . . . 0.0 112.232 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 97' ' ' LEU . 81.2 mt -96.47 -38.4 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.332 1.053 . . . . 0.0 108.62 177.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -111.22 11.05 21.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.462 1.905 . . . . 0.0 112.234 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 9.1 ttpp 47.02 -159.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -157.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.568 HD11 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -164.87 168.37 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 126.525 1.93 . . . . 0.0 106.997 157.407 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.2 p -136.83 168.88 18.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 165.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.37 -45.27 22.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 157.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 p -134.88 156.89 48.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.195 1.398 . . . . 0.0 110.703 -163.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.66 -25.22 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.092 0.957 . . . . 0.0 110.901 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -67.5 -5.45 15.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.773 2.429 . . . . 0.0 112.992 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.55 13.22 8.73 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.734 0.813 . . . . 0.0 111.929 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 116.642 -1.647 . . . . 0.0 110.423 175.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -143.3 77.32 1.56 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.23 1.412 . . . . 0.0 107.469 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -84.52 -43.66 14.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.155 0.582 . . . . 0.0 110.007 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.52 124.2 19.99 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.523 1.129 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -144.17 167.4 22.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.126 2.97 . . . . 0.0 110.128 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -147.5 114.07 6.0 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.787 1.635 . . . . 0.0 108.39 -171.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.65 83.42 2.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.779 1.632 . . . . 0.0 108.266 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 mt -82.08 142.23 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.7 1.2 . . . . 0.0 108.676 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -141.71 141.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 125.865 1.666 . . . . 0.0 108.272 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -129.65 -136.02 0.22 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.899 1.279 . . . . 0.0 108.425 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.57 -2.99 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.677 2.391 . . . . 0.0 116.864 -169.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.49 27.65 7.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.183 2.193 . . . . 0.0 109.526 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 59.73 -16.71 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.672 2.789 . . . . 0.0 116.384 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 29.4 mttp -98.76 169.05 9.75 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 128.452 2.701 . . . . 0.0 108.942 164.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.45 115.42 27.24 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 129.317 3.047 . . . . 0.0 107.446 164.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.58 125.67 71.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -131.04 104.09 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -169.682 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 mtp-105 -72.04 101.18 2.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.17 133.23 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 165.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -124.83 113.65 18.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.42 166.48 14.45 Favored Glycine 0 N--CA 1.465 0.574 0 CA-C-N 118.887 0.767 . . . . 0.0 111.302 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.9 179.1 6.78 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.511 1.124 . . . . 0.0 110.287 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.84 83.94 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 122.328 1.061 . . . . 0.0 108.607 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.8 -176.28 2.89 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.488 1.515 . . . . 0.0 108.463 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.44 -12.15 3.6 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.144 -1.597 . . . . 0.0 114.827 163.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -10.65 49.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 120.264 1.393 . . . . 0.0 111.521 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -133.71 -48.3 0.81 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.254 -164.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -53.87 -37.15 63.4 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 120.195 1.361 . . . . 0.0 110.017 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -26.34 8.16 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.479 1.111 . . . . 0.0 113.497 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -120.26 -49.87 2.26 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.767 2.027 . . . . 0.0 111.588 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -42.56 -35.53 1.11 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.211 1.404 . . . . 0.0 110.849 162.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -63.16 -65.15 0.73 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 119.323 0.965 . . . . 0.0 110.095 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.05 -20.55 66.21 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.587 0.63 . . . . 0.0 112.103 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -81.62 -41.56 21.3 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 26.0 mt -67.56 -28.93 68.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.995 0.918 . . . . 0.0 112.886 170.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -55.27 25.97 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.865 1.266 . . . . 0.0 108.6 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -45.54 86.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.148 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -47.1 -57.85 4.64 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.57 1.548 . . . . 0.0 110.769 178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -63.21 -30.69 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-N 118.494 0.588 . . . . 0.0 112.182 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -84.77 -10.34 57.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.216 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -109.37 -27.77 9.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.656 1.571 . . . . 0.0 112.091 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 39' ' ' ILE . 13.8 t -65.26 115.89 6.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.144 -0.973 . . . . 0.0 110.001 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 4.37 4.69 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 120.487 -1.383 . . . . 0.0 114.243 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.08 149.01 23.4 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 119.141 -2.225 . . . . 0.0 108.472 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -87.34 -1.38 57.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.49 123.17 35.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 -172.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 46' ' ' LYS . 1.7 mp -124.12 125.52 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.47 -2.419 . . . . 0.0 104.47 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.99 106.84 19.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 HG13 ' A' ' 17' ' ' VAL . 5.3 tp -87.65 97.68 11.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.175 0.99 . . . . 0.0 108.397 -175.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.08 114.05 13.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.52 16.13 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 110.595 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.45 -1.68 2.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.905 1.282 . . . . 0.0 113.634 -165.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.02 -4.56 4.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.435 1.494 . . . . 0.0 113.307 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.31 130.99 35.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.42 -50.29 2.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -98.41 150.3 21.76 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.879 0.871 . . . . 0.0 108.753 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.0 ttm -151.35 112.31 4.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.875 2.07 . . . . 0.0 106.322 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -83.0 177.95 8.38 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.635 0.585 . . . . 0.0 110.432 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -18.5 51.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.392 0.677 . . . . 0.0 112.34 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.82 85.69 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 118.895 0.77 . . . . 0.0 114.523 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -67.78 -52.89 31.98 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 117.328 0.564 . . . . 0.0 110.475 -169.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.07 -29.03 69.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.845 -0.975 . . . . 0.0 112.629 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.3 m -58.4 -53.01 63.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 115.3 -2.286 . . . . 0.0 110.367 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.83 -37.91 60.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 122.802 2.546 . . . . 0.0 109.85 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.82 -28.34 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 O-C-N 121.45 -0.781 . . . . 0.0 110.437 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.8 -51.04 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.685 1.129 . . . . 0.0 108.818 161.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.37 -37.86 75.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.19 -55.65 32.19 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.031 -1.043 . . . . 0.0 109.092 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -57.07 -38.35 73.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.592 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -33.58 75.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 118.054 0.388 . . . . 0.0 111.604 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.3 70.46 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 109.973 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.92 -31.94 69.98 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.827 -0.546 . . . . 0.0 110.466 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -57.94 -46.49 87.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 118.973 0.806 . . . . 0.0 110.423 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.478 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 35.0 m-80 -82.31 -4.0 56.39 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.249 1.02 . . . . 0.0 112.88 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.7 61.82 4.74 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.478 1.99 . . . . 0.0 111.25 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.478 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 15.6 ptpt -153.98 -176.97 6.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.015 0.907 . . . . 0.0 112.698 -175.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.3 169.6 9.46 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.529 1.531 . . . . 0.0 111.193 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.55 107.89 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 112.734 -2.03 . . . . 0.0 109.601 -172.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mt -133.88 144.47 35.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 124.676 1.19 . . . . 0.0 109.38 -172.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.77 152.41 34.43 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -171.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -149.95 165.21 33.32 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.03 -160.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m 56.69 46.25 20.48 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.555 1.645 . . . . 0.0 112.289 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.76 101.07 1.0 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 128.705 2.802 . . . . 0.0 111.476 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -59.89 162.38 5.55 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.497 170.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -49.04 -56.48 8.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.509 1.124 . . . . 0.0 112.041 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -63.13 -58.22 7.97 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.879 0.872 . . . . 0.0 111.364 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mm -57.51 -51.77 65.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-O 116.48 -1.724 . . . . 0.0 107.494 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -37.88 -56.31 1.12 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.654 1.57 . . . . 0.0 109.904 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -47.57 78.18 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.429 1.092 . . . . 0.0 112.112 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.582 ' C ' HD12 ' A' ' 94' ' ' LEU . 42.5 mt -70.64 11.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.789 2.436 . . . . 0.0 111.486 176.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -109.2 -39.49 5.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 118.664 -2.522 . . . . 0.0 109.251 160.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.71 63.64 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.022 -1.049 . . . . 0.0 113.444 174.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.582 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -55.38 -34.21 64.13 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.571 1.948 . . . . 0.0 114.678 -172.26 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.497 ' H ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -120.06 21.41 11.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.848 1.259 . . . . 0.0 110.073 176.595 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.7 m80 56.06 40.97 30.18 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.664 1.185 . . . . 0.0 110.396 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.738 HD23 HD12 ' A' ' 100' ' ' ILE . 34.8 mt -79.34 -23.71 43.24 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 109.821 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.67 -5.25 3.8 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.038 2.135 . . . . 0.0 114.933 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -114.36 1.75 14.52 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.118 1.367 . . . . 0.0 112.723 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.738 HD12 HD23 ' A' ' 97' ' ' LEU . 56.9 mt -103.9 -30.02 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.703 1.201 . . . . 0.0 108.109 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 97' ' ' LEU . 2.5 m-85 -127.46 16.96 7.05 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.273 1.829 . . . . 0.0 111.465 -175.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.535 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 10.8 tttp 48.75 -160.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -165.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.562 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -171.41 154.55 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 125.47 1.508 . . . . 0.0 107.821 158.093 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.535 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 44.9 p -142.85 118.23 10.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -167.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.2 -33.66 65.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.053 -1.654 . . . . 0.0 110.532 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.3 p -136.43 162.93 31.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 123.901 0.751 . . . . 0.0 111.54 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.95 -24.81 24.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.614 1.566 . . . . 0.0 111.516 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.23 -19.84 63.95 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.958 0.903 . . . . 0.0 112.793 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.19 -2.43 56.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.719 1.145 . . . . 0.0 113.071 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.422 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.253 1.267 0 CA-C-N 119.228 0.922 . . . . 0.0 111.224 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -65.85 126.44 28.51 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.583 1.553 . . . . 0.0 108.048 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -142.53 178.0 7.9 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 166.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -75.55 118.39 18.35 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 111.15 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -127.74 165.69 19.59 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.075 2.15 . . . . 0.0 110.688 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.1 mt -136.83 151.02 48.66 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.05 2.14 . . . . 0.0 105.708 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.76 83.61 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -74.36 128.39 36.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.1 t -139.42 131.34 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 94.4 mt-10 -133.52 98.05 4.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.66 1.184 . . . . 0.0 110.552 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -135.25 -48.84 0.72 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.463 0.705 . . . . 0.0 110.157 168.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -80.49 59.4 3.5 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.422 1.106 . . . . 0.0 110.258 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 54.57 10.01 0.31 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.346 2.658 . . . . 0.0 115.321 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HD3' HG21 ' A' ' 48' ' ' VAL . 13.1 ttmt -140.86 162.56 35.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.041 -2.287 . . . . 0.0 106.386 -165.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . . . -112.08 92.16 3.93 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.011 1.324 . . . . 0.0 108.695 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.55 147.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.624 HG13 HD12 ' A' ' 49' ' ' LEU . 1.2 p -148.96 112.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 118.268 0.485 . . . . 0.0 109.807 170.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -81.42 96.43 7.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.419 1.088 . . . . 0.0 108.833 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.4 123.9 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 109.065 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.44 115.88 15.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.214 1.805 . . . . 0.0 108.724 -169.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.32 167.09 25.68 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -83.88 173.66 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.497 1.119 . . . . 0.0 111.312 -161.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.56 40.91 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 121.622 0.725 . . . . 0.0 109.749 -164.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -90.09 -172.86 3.64 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 117.821 -3.049 . . . . 0.0 107.641 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.61 -0.16 0.25 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.156 2.182 . . . . 0.0 114.994 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -95.03 -7.84 38.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 127.348 2.259 . . . . 0.0 113.069 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -148.84 -41.23 0.15 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.145 -162.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.1 p -56.76 -36.3 69.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.384 0.993 . . . . 0.0 108.909 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -24.76 63.4 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.389 1.475 . . . . 0.0 113.313 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -85.61 -60.79 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.402 HD23 HG21 ' A' ' 64' ' ' THR . 2.5 tt -42.22 -32.33 0.48 Allowed 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 127.956 2.503 . . . . 0.0 111.342 169.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.4 ttpt -64.83 -54.46 30.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 118.573 0.624 . . . . 0.0 111.362 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 4.5 pt-20 -71.31 -6.23 38.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.447 1.021 . . . . 0.0 113.152 -170.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.52 -46.05 4.67 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 125.952 1.701 . . . . 0.0 106.482 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.12 -35.26 80.03 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.221 -0.924 . . . . 0.0 111.971 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.87 -13.13 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.106 -0.996 . . . . 0.0 111.313 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' THR . 2.3 m-80 -86.41 -55.95 3.66 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 120.932 -1.105 . . . . 0.0 108.959 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.517 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.7 t80 -40.05 -54.82 2.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 128.314 2.646 . . . . 0.0 111.181 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.46 -20.34 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -77.64 -24.78 49.42 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.996 165.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 37' ' ' ASN . 15.4 t -129.24 56.83 1.67 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.943 1.701 . . . . 0.0 109.66 -167.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -133.5 -39.65 0.9 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.004 1.321 . . . . 0.0 112.537 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m 51.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.61 133.69 36.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 7.25 1.76 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 113.51 5.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 120.533 1.515 . . . . 0.0 109.575 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.66 132.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.516 HG21 ' HD3' ' A' ' 14' ' ' LYS . 94.2 t -121.55 97.86 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 C-N-CA 127.434 2.294 . . . . 0.0 106.537 174.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.624 HD12 HG13 ' A' ' 17' ' ' VAL . 13.4 tp -85.84 93.55 8.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 113.047 -1.888 . . . . 0.0 108.476 -174.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -89.92 121.65 32.22 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 125.331 1.453 . . . . 0.0 112.328 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -122.78 29.61 6.77 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -165.162 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 13.1 p -69.18 -5.54 23.21 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.714 -1.241 . . . . 0.0 112.938 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -122.1 -6.25 8.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 120.573 1.533 . . . . 0.0 114.089 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 8.7 p -72.28 -177.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.591 1.541 . . . . 0.0 108.76 157.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -150.13 -41.0 0.13 Allowed 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.876 -1.14 . . . . 0.0 111.469 152.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.07 124.97 41.22 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -168.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.7 ttm -133.42 124.34 26.94 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 125.45 1.5 . . . . 0.0 110.176 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -93.28 175.14 6.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.832 2.453 . . . . 0.0 109.72 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -15.2 58.21 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.123 0.969 . . . . 0.0 112.267 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.24 -32.32 6.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 125.074 1.321 . . . . 0.0 113.381 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.12 -52.19 50.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.857 1.263 . . . . 0.0 110.057 -167.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -9.1 44.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 123.941 0.782 . . . . 0.0 113.226 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.402 HG21 HD23 ' A' ' 31' ' ' LEU . 5.4 m -65.04 -51.29 62.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.868 169.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.59 -30.18 67.01 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.511 1.505 . . . . 0.0 110.816 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.6 -38.16 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 122.968 0.507 . . . . 0.0 110.773 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -57.43 -50.72 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 119.359 0.981 . . . . 0.0 109.339 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mm -59.32 -41.7 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.894 0.878 . . . . 0.0 108.762 -172.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -55.95 27.76 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.225 1.01 . . . . 0.0 111.18 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -47.03 -41.86 17.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.918 0.487 . . . . 0.0 110.479 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -34.13 77.11 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.46 76.41 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.312 1.445 . . . . 0.0 109.522 170.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -73.76 -28.09 61.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.95 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.86 -59.77 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 C-N-CA 124.385 1.074 . . . . 0.0 108.945 165.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -72.02 -5.13 32.84 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.04 62.67 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.751 1.167 . . . . 0.0 112.92 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.71 174.43 10.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.253 1.527 . . . . 0.0 112.343 167.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.9 162.64 13.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.82 1.248 . . . . 0.0 109.655 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -145.3 133.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.717 1.607 . . . . 0.0 108.612 -175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.696 ' C ' HD13 ' A' ' 81' ' ' LEU . 65.8 mt -153.06 148.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 129.079 2.951 . . . . 0.0 105.891 -170.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -125.77 172.53 9.75 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.414 0.686 . . . . 0.0 110.148 -178.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -155.6 152.47 28.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.609 0.568 . . . . 0.0 111.382 -160.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 52' ' ' SER . 5.0 m 54.38 55.8 7.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.148 2.579 . . . . 0.0 115.33 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.877 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -61.82 119.84 9.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 130.551 3.541 . . . . 0.0 110.654 178.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -85.62 159.29 19.88 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.548 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.09 -14.58 61.99 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -73.28 -79.71 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 161.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.1 mm -40.91 -58.16 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 C-N-CA 128.213 2.605 . . . . 0.0 110.079 -173.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 t -45.71 -59.13 2.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.091 1.756 . . . . 0.0 110.268 -171.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -60.03 -43.48 95.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.393 -0.817 . . . . 0.0 110.609 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.4 -36.0 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.786 1.235 . . . . 0.0 110.729 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.93 -45.41 74.39 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.814 -1.179 . . . . 0.0 110.126 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.54 75.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 117.966 -1.016 . . . . 0.0 113.331 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.19 -55.95 9.13 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.093 1.757 . . . . 0.0 110.553 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.32 8.75 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.359 1.864 . . . . 0.0 112.503 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.7 m80 52.96 27.42 5.55 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.103 1.319 . . . . 0.0 113.389 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 100' ' ' ILE . 87.1 mt -73.72 -19.79 60.7 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.687 1.195 . . . . 0.0 110.518 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.52 -6.69 5.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.91 2.084 . . . . 0.0 114.497 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.49 6.18 7.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.674 1.99 . . . . 0.0 111.232 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.462 HD12 HD23 ' A' ' 97' ' ' LEU . 71.0 mt -107.56 -46.04 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.733 1.613 . . . . 0.0 107.492 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.59 ' HB2' HD21 ' A' ' 81' ' ' LEU . 1.8 m-30 -104.31 13.43 32.12 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 126.169 1.788 . . . . 0.0 109.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' HG23 ' A' ' 80' ' ' ILE . 6.6 ttpp 46.47 -159.6 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.108 0.867 . . . . 0.0 109.689 -161.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.584 HG12 HD21 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -167.89 163.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.077 2.151 . . . . 0.0 105.535 152.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.5 p -139.0 143.32 38.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.14 -33.2 74.94 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.81 172.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.5 p -141.55 166.6 24.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.028 0.831 . . . . 0.0 111.979 166.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.7 -23.53 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 126.419 1.888 . . . . 0.0 112.394 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.76 1.27 50.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.127 1.371 . . . . 0.0 112.016 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.8 7.44 37.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.299 0.954 . . . . 0.0 113.084 161.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 119.287 0.949 . . . . 0.0 110.121 -178.634 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -82.29 -40.98 20.74 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.906 0.882 . . . . 0.0 108.873 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.7 t30 54.69 -72.1 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.052 2.141 . . . . 0.0 112.201 -166.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 31' ' ' LEU . 2.6 tm? -60.13 132.9 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.48 1.512 . . . . 0.0 111.463 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -151.21 168.38 24.88 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.876 2.07 . . . . 0.0 110.84 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 mt -145.9 105.73 3.99 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.131 1.332 . . . . 0.0 113.083 -165.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 3.6 t70 -85.45 67.96 10.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.202 1.001 . . . . 0.0 111.56 -175.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 mt -70.41 127.33 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 120.685 -1.259 . . . . 0.0 109.119 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.7 t -141.36 127.27 19.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -102.84 94.97 5.87 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -141.26 -37.1 0.43 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 28.12 1.17 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.258 0.936 . . . . 0.0 111.703 -176.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.06 14.73 9.77 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.827 1.651 . . . . 0.0 112.78 -169.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HD2' HG22 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.73 158.62 41.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 129.646 3.178 . . . . 0.0 107.131 176.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.51 88.38 5.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.462 1.905 . . . . 0.0 107.412 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.57 154.29 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG13 HD12 ' A' ' 49' ' ' LEU . 1.1 p -150.23 104.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 22.3 mtp180 -81.58 98.92 8.56 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 t -60.98 139.45 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -125.24 135.9 53.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.97 167.72 12.8 Favored Glycine 0 C--O 1.224 -0.476 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -173.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -121.28 128.89 52.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.563 HD12 HG11 ' A' ' 54' ' ' VAL . 57.8 mt -95.23 117.05 38.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 122.958 1.361 . . . . 0.0 108.878 -157.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -136.14 178.61 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.58 0.11 0.36 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.085 1.354 . . . . 0.0 113.758 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.52 -13.61 34.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.105 1.762 . . . . 0.0 113.035 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -138.2 -36.84 0.58 Allowed 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 117.798 -1.096 . . . . 0.0 111.948 -163.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -49.46 -48.35 47.73 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.39 1.076 . . . . 0.0 108.816 173.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.03 -45.16 1.19 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 129.343 3.057 . . . . 0.0 113.348 169.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.98 -46.09 6.03 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 109.538 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD12 HD21 ' A' ' 4' ' ' LEU . 3.7 tt -42.9 -39.65 2.63 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.624 1.17 . . . . 0.0 110.177 165.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.1 ttpt -60.16 -59.17 5.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 123.918 0.761 . . . . 0.0 111.786 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 11.0 pt-20 -66.83 -26.86 67.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.869 0.759 . . . . 0.0 110.863 -172.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.94 -41.57 22.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.348 1.059 . . . . 0.0 109.032 -175.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.0 -41.56 87.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 110.807 165.407 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -61.04 -44.27 97.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.873 0.76 . . . . 0.0 109.941 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.24 -54.2 49.6 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.12 0.568 . . . . 0.0 110.978 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.9 t80 -51.57 -46.93 63.63 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.955 1.702 . . . . 0.0 111.684 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mt -69.41 -25.64 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.778 -1.201 . . . . 0.0 110.524 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -40.43 69.24 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.326 1.421 . . . . 0.0 110.228 173.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -87.21 -48.87 7.69 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.609 0.764 . . . . 0.0 111.149 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.83 125.91 25.49 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.722 0.773 . . . . 0.0 110.625 -158.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -75.25 -25.08 57.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.244 1.417 . . . . 0.0 111.59 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -82.32 120.36 25.31 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.68 1.22 5.57 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 103.46 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.399 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.84 130.92 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 126.587 1.955 . . . . 0.0 106.275 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -128.48 99.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 106.26 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.663 HD12 HG13 ' A' ' 17' ' ' VAL . 6.6 tp -89.66 88.3 7.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.892 -170.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.22 101.1 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.53 11.02 4.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 120.112 -1.618 . . . . 0.0 111.147 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -53.38 -15.83 1.17 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -155.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.9 m -98.26 -36.03 10.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 119.989 -1.694 . . . . 0.0 111.877 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG11 HD12 ' A' ' 23' ' ' ILE . 4.0 t -55.7 110.61 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.761 1.624 . . . . 0.0 109.642 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -97.24 -48.42 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.565 -0.709 . . . . 0.0 110.068 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -87.53 146.81 25.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.281 0.363 . . . . 0.0 110.609 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.413 ' HB2' ' CD1' ' A' ' 88' ' ' ILE . 49.4 ttm -148.61 117.89 6.87 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.882 1.273 . . . . 0.0 109.036 170.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -80.03 162.16 25.01 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 162.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.91 56.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.806 1.242 . . . . 0.0 111.871 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -47.11 -69.56 0.86 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 127.348 2.404 . . . . 0.0 110.319 171.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.99 -40.32 76.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.457 -1.025 . . . . 0.0 112.381 -171.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 -16.36 52.52 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.509 -1.162 . . . . 0.0 113.304 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 85.9 m -76.01 -46.47 29.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.026 -2.212 . . . . 0.0 105.026 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -38.56 73.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.971 0.805 . . . . 0.0 109.102 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 t -65.38 -33.71 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.366 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.64 -54.44 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.133 1.373 . . . . 0.0 109.759 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -41.74 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 129.289 3.036 . . . . 0.0 109.364 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD21 ' HE2' ' A' ' 73' ' ' LYS . 1.5 tm? -64.16 -54.99 25.12 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 120.4 -1.437 . . . . 0.0 111.776 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -51.7 -41.78 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.238 -0.289 . . . . 0.0 110.288 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.09 -43.05 86.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.431 1.492 . . . . 0.0 111.89 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.58 -54.64 30.21 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.99 1.716 . . . . 0.0 111.12 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.777 ' HE2' HD21 ' A' ' 69' ' ' LEU . 45.9 mmtt -64.68 -42.24 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.449 -177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -53.54 -46.57 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.608 1.163 . . . . 0.0 110.162 173.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -78.66 -8.65 58.89 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.37 63.23 4.45 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 125.813 1.673 . . . . 0.0 111.107 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -149.62 174.33 12.68 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.81 1.244 . . . . 0.0 110.021 171.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -96.79 170.74 8.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.318 1.047 . . . . 0.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.67 116.9 5.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.327 1.451 . . . . 0.0 108.39 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.9 mt -133.14 154.05 38.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.28 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.49 154.04 30.04 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.414 0.685 . . . . 0.0 110.151 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.83 164.79 29.29 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 125.241 1.416 . . . . 0.0 112.502 -171.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m 74.28 30.4 1.18 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.551 1.941 . . . . 0.0 114.855 163.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -53.53 105.6 0.14 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 128.116 2.566 . . . . 0.0 113.338 -171.131 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -70.28 158.96 34.94 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.855 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -46.84 -45.61 20.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.198 1.399 . . . . 0.0 111.091 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -68.24 -71.15 0.22 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.501 1.521 . . . . 0.0 110.342 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 57' ' ' MET . 37.1 mm -48.52 -54.73 4.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 C-N-CA 125.053 1.341 . . . . 0.0 108.824 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.474 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 8.7 t -39.07 -60.42 0.88 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.736 1.614 . . . . 0.0 108.922 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -54.8 -54.85 36.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.738 -1.125 . . . . 0.0 111.145 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 58.6 mt -52.31 -33.33 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.599 1.96 . . . . 0.0 109.884 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.795 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.9 mm? -69.09 -49.72 54.67 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 119.713 -1.867 . . . . 0.0 110.61 171.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -60.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.182 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 11.3 mt -52.84 -54.67 31.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.695 1.598 . . . . 0.0 109.917 -178.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.19 14.6 23.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.657 0.783 . . . . 0.0 110.943 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.0 m170 52.49 28.94 6.43 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.044 1.738 . . . . 0.0 113.288 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 100' ' ' ILE . 74.9 mt -68.31 -21.32 64.77 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 120.661 -1.275 . . . . 0.0 110.984 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.04 -11.27 12.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.365 1.466 . . . . 0.0 114.429 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 12.52 10.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.077 1.751 . . . . 0.0 111.758 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.842 HD12 HD23 ' A' ' 97' ' ' LEU . 80.8 mt -106.07 -46.98 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.594 1.958 . . . . 0.0 106.838 168.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.684 ' CE2' HD22 ' A' ' 97' ' ' LEU . 3.0 m-85 -108.23 15.26 24.27 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 126.991 2.116 . . . . 0.0 112.039 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 5.8 tttp 51.42 -168.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.277 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.795 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -163.16 159.6 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.319 -0.863 . . . . 0.0 109.072 157.443 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.472 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 25.2 p -140.73 126.03 18.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.239 0.472 . . . . 0.0 109.768 -170.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -62.1 -37.11 83.85 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 120.903 -1.123 . . . . 0.0 110.55 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.3 p -141.25 169.58 17.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.083 1.353 . . . . 0.0 108.591 -172.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.439 HG22 ' HD2' ' A' ' 14' ' ' LYS . 9.5 p -59.04 -24.0 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 174.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.5 -8.23 59.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -8.17 52.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.947 0.794 . . . . 0.0 111.21 167.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 123.963 0.905 . . . . 0.0 113.266 -171.336 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.0 t30 45.37 75.18 0.11 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.492 1.517 . . . . 0.0 112.037 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -145.7 -65.7 0.31 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.38 122.1 13.72 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.81 0.844 . . . . 0.0 110.263 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -142.56 159.05 43.0 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.502 1.921 . . . . 0.0 110.961 -170.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 mt -139.85 129.6 24.57 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.689 1.596 . . . . 0.0 108.245 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.72 84.54 2.29 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.124 0.97 . . . . 0.0 109.592 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.45 143.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 125.215 1.406 . . . . 0.0 108.512 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.41 139.16 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -129.62 47.31 2.51 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.839 0.856 . . . . 0.0 110.144 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -67.25 173.77 3.67 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.731 1.212 . . . . 0.0 111.139 168.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 40.22 -94.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.839 2.856 . . . . 0.0 112.124 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.38 41.94 0.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.372 1.869 . . . . 0.0 109.316 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HD3' HG21 ' A' ' 48' ' ' VAL . 19.3 ttmm -151.78 144.15 24.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 119.353 -2.092 . . . . 0.0 109.803 176.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.43 9.93 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.175 1.79 . . . . 0.0 109.339 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -112.34 118.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -169.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.637 HG13 HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -124.38 111.89 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 C-N-CA 123.463 0.705 . . . . 0.0 110.372 -167.246 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.04 102.77 7.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 125.076 1.35 . . . . 0.0 108.341 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.31 143.46 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 170.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HA ' ' HB3' ' A' ' 53' ' ' SER . 29.9 mt-30 -130.85 130.56 43.76 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 127.276 2.23 . . . . 0.0 107.883 173.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.63 -177.11 16.72 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.413 1.483 . . . . 0.0 109.523 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.9 m-20 -129.19 109.42 11.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 126.358 1.863 . . . . 0.0 106.699 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.94 134.98 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -173.02 -175.61 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -162.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.25 63.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.281 1.433 . . . . 0.0 112.847 172.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -8.32 59.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -134.61 -49.67 0.77 Allowed 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 115.616 -2.135 . . . . 0.0 111.403 -160.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -47.6 -51.49 21.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.611 2.005 . . . . 0.0 109.628 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -48.14 -30.85 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.962 2.905 . . . . 0.0 114.952 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -60.49 1.52 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.573 1.549 . . . . 0.0 109.746 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.272 16.9 tp -29.31 -42.7 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 129.838 3.255 . . . . 0.0 112.294 169.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmpt? -59.88 -47.6 85.11 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -33.3 75.48 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.782 0.833 . . . . 0.0 109.066 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -82.29 -45.1 15.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -167.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.659 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -63.27 -40.77 98.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.952 0.901 . . . . 0.0 112.354 171.039 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.64 -50.12 71.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.8 -43.29 99.18 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 122.114 -0.366 . . . . 0.0 110.859 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.9 t80 -53.08 -50.35 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.537 1.135 . . . . 0.0 109.907 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.8 mt -60.1 -31.78 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.4 -0.809 . . . . 0.0 112.73 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.1 t -72.24 -28.18 62.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.309 0.959 . . . . 0.0 109.776 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.44 0.22 4.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -153.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -92.41 126.93 37.71 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.8 -5.3 50.33 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.001 -1.062 . . . . 0.0 112.488 172.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 128.87 34.13 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.79 -21.64 66.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.337 168.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 108.23 19.19 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.627 1.103 . . . . 0.0 108.857 -168.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.94 134.91 39.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 126.648 1.979 . . . . 0.0 106.237 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.557 HG21 ' HD3' ' A' ' 14' ' ' LYS . 99.5 t -128.18 97.83 4.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 127.476 2.311 . . . . 0.0 105.107 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.637 HD12 HG13 ' A' ' 17' ' ' VAL . 10.6 tp -79.75 102.93 9.32 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.409 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.65 100.08 12.54 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.633 1.173 . . . . 0.0 109.063 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.04 8.94 9.39 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.887 -1.054 . . . . 0.0 113.424 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -58.73 -3.66 0.34 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -162.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' GLN . 8.1 t -101.77 -34.64 9.36 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.191 -1.568 . . . . 0.0 111.568 169.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 22' ' ' ASP . 2.2 t -68.12 129.37 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -127.22 -30.99 2.6 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 117.613 -1.184 . . . . 0.0 112.147 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -77.1 -95.8 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 111.355 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.405 23.1 ttp 78.56 102.07 0.07 Allowed 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 127.125 2.17 . . . . 0.0 116.769 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -79.48 169.53 17.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.357 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.85 -26.86 68.52 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.466 1.03 . . . . 0.0 112.677 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.34 -20.32 67.15 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 118.669 -1.073 . . . . 0.0 113.424 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 91' ' ' ILE . 7.6 mt -61.16 -57.4 12.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.407 1.104 . . . . 0.0 109.232 173.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.84 -29.85 65.3 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-O 118.007 -1.44 . . . . 0.0 112.987 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.1 m -51.65 -54.25 29.97 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.538 1.669 . . . . 0.0 109.583 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.27 -33.72 76.48 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 119.598 1.09 . . . . 0.0 110.594 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -66.74 -37.15 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 122.148 -0.345 . . . . 0.0 110.152 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.02 -51.84 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.186 -0.946 . . . . 0.0 109.018 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.659 HG21 HD12 ' A' ' 35' ' ' LEU . 3.3 mm -57.74 -40.6 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.06 -55.26 36.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 121.261 -0.899 . . . . 0.0 110.761 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -50.32 -38.0 39.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.065 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.04 -44.32 80.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.216 1.407 . . . . 0.0 111.049 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.82 47.23 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.171 1.388 . . . . 0.0 110.129 171.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -71.0 -38.22 72.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.309 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.24 -28.55 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.296 1.038 . . . . 0.0 111.854 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -99.1 -7.08 27.23 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.281 1.032 . . . . 0.0 112.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.85 62.52 6.14 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 126.816 2.151 . . . . 0.0 112.221 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -146.11 179.25 7.62 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.062 0.945 . . . . 0.0 112.358 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.3 164.8 13.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.064 1.412 . . . . 0.0 108.832 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -151.59 107.88 3.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.421 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 102' ' ' LYS . 4.6 mt -123.55 150.57 27.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -118.78 167.77 11.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.533 0.733 . . . . 0.0 109.736 178.597 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t -162.12 162.4 28.53 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.295 1.038 . . . . 0.0 109.281 -159.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.53 57.77 6.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.855 2.462 . . . . 0.0 114.049 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD21 HG12 ' A' ' 103' ' ' ILE . 3.3 mp -75.9 99.17 4.42 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 130.743 3.617 . . . . 0.0 112.557 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.21 154.94 25.94 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.743 170.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.43 -37.79 82.01 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.659 1.118 . . . . 0.0 112.572 -165.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -77.25 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.614 1.166 . . . . 0.0 110.518 166.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 91' ' ' ILE . 26.1 mm -40.38 -52.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.163 0 C-N-CA 127.633 2.373 . . . . 0.0 110.114 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 t -44.42 -63.33 0.91 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.95 1.7 . . . . 0.0 110.142 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -37.5 70.23 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 118.885 0.766 . . . . 0.0 111.308 -172.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 88' ' ' ILE . 26.1 mt -62.27 -38.08 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.414 1.485 . . . . 0.0 108.421 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' CD1' HD23 ' A' ' 84' ' ' LEU . 8.0 mt -67.97 -35.02 77.66 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 109.382 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -16.13 57.04 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 169.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.87 -69.15 0.23 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 122.231 2.287 . . . . 0.0 108.203 175.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -74.63 9.11 1.94 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.261 1.424 . . . . 0.0 111.121 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.4 m80 46.03 38.64 4.88 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.604 1.562 . . . . 0.0 111.544 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.843 HD23 HD12 ' A' ' 100' ' ' ILE . 86.0 mt -73.81 -21.09 60.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.462 1.105 . . . . 0.0 109.51 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.78 -6.26 1.68 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.82 1.648 . . . . 0.0 114.989 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.57 -0.87 8.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.435 1.494 . . . . 0.0 112.157 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.843 HD12 HD23 ' A' ' 97' ' ' LEU . 83.7 mt -96.99 -45.64 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.791 1.637 . . . . 0.0 108.407 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 1.9 m-85 -111.51 21.02 16.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.884 2.074 . . . . 0.0 110.904 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 1.4 ttpt 46.64 -157.69 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.606 1.162 . . . . 0.0 109.429 -166.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.658 HG12 HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -175.6 157.41 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 C-N-CA 127.181 2.192 . . . . 0.0 107.867 160.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.5 p -139.49 132.55 29.57 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.95 -37.79 88.49 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 118.559 -1.256 . . . . 0.0 110.123 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -141.9 173.09 11.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.503 1.521 . . . . 0.0 109.724 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.0 p -63.25 -15.67 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.656 0.782 . . . . 0.0 111.812 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -22.36 59.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.411 1.084 . . . . 0.0 110.926 174.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -0.08 54.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.469 0.708 . . . . 0.0 112.768 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.405 ' CB ' ' HZ2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.255 1.376 0 CA-C-N 119.551 1.069 . . . . 0.0 112.076 -167.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -137.25 77.3 1.63 Allowed 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.865 1.266 . . . . 0.0 107.904 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -78.6 -45.83 20.72 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.8 149.86 24.55 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.621 1.568 . . . . 0.0 109.618 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -137.36 157.15 47.22 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 127.018 2.127 . . . . 0.0 108.658 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.48 149.33 39.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 125.889 1.676 . . . . 0.0 107.117 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.94 88.17 2.26 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 124.818 1.324 . . . . 0.0 107.909 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.08 138.58 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.618 1.567 . . . . 0.0 108.597 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.0 t -130.68 128.18 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 124.308 1.043 . . . . 0.0 108.265 169.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -135.75 87.59 2.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 162.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -138.88 96.44 3.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 166.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 144.38 -106.49 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 1 C-N-CA 131.795 4.038 . . . . 0.0 104.666 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -155.48 25.45 0.4 Allowed 'General case' 0 C--O 1.223 -0.295 0 O-C-N 119.996 -1.69 . . . . 0.0 110.246 -165.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -150.92 158.58 44.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.563 1.545 . . . . 0.0 107.902 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.96 89.3 3.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 125.973 1.709 . . . . 0.0 109.138 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -80.74 148.98 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' HB ' HD23 ' A' ' 49' ' ' LEU . 22.8 t -139.57 105.3 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.573 1.079 . . . . 0.0 111.307 168.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -73.44 79.3 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 127.607 2.363 . . . . 0.0 109.056 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 t -71.66 132.35 33.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -141.34 78.34 1.64 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.51 1.924 . . . . 0.0 106.155 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.95 131.67 1.81 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.39 153.55 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -131.05 92.82 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.369 0.986 . . . . 0.0 109.398 -164.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -120.66 -170.05 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.905 2.082 . . . . 0.0 108.267 167.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.46 2.34 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.529 1.532 . . . . 0.0 114.92 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.98 -18.42 59.31 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.998 1.272 . . . . 0.0 112.545 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -139.7 -37.46 0.49 Allowed 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.238 -1.363 . . . . 0.0 111.588 -152.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -48.66 -44.96 38.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 121.125 1.784 . . . . 0.0 109.065 168.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -49.02 63.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 127.814 2.446 . . . . 0.0 110.273 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.47 -59.58 2.72 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 126.119 1.768 . . . . 0.0 109.953 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -30.88 -46.45 0.08 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 128.497 2.719 . . . . 0.0 109.642 170.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 4.7 ttpt -59.93 -53.56 56.43 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 118.688 -0.673 . . . . 0.0 112.447 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.417 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.2 tt0 -54.54 -43.53 72.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.527 0.731 . . . . 0.0 110.277 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.6 -42.37 61.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -167.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.697 HD12 HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -66.91 -39.99 87.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.465 1.506 . . . . 0.0 112.355 174.3 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -52.33 66.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.31 99.09 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.689 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' HD2' HD13 ' A' ' 35' ' ' LEU . 2.9 t80 -52.49 -58.18 7.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.179 1.392 . . . . 0.0 109.836 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -33.51 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 121.203 -0.936 . . . . 0.0 110.917 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -44.88 90.72 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.214 0.915 . . . . 0.0 110.364 174.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -77.75 -52.06 9.54 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.804 -0.56 . . . . 0.0 110.316 -172.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 t -48.91 129.24 17.03 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.757 2.023 . . . . 0.0 114.084 -157.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 m -71.88 -12.4 61.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.328 1.051 . . . . 0.0 113.585 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -102.61 138.54 39.38 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.756 1.623 . . . . 0.0 107.043 -165.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -63.23 -25.38 68.3 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.619 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 110.22 20.7 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.868 1.267 . . . . 0.0 108.319 -166.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.3 137.01 33.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -136.46 94.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 C-N-CA 125.386 1.474 . . . . 0.0 108.179 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD11 HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -88.38 93.22 9.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.001 -166.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.74 75.14 2.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.139 2.175 . . . . 0.0 110.292 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.586 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -89.99 64.85 6.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.11 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t -101.55 -12.46 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.582 -174.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.3 m -122.24 -7.32 8.79 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -176.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.586 HG11 ' HB3' ' A' ' 51' ' ' LEU . 4.5 p -57.47 157.57 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 120.354 -1.467 . . . . 0.0 110.118 149.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -141.32 -41.09 0.38 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.922 1.289 . . . . 0.0 110.302 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -77.52 135.7 38.24 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.8 ttm -145.59 129.11 17.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 167.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -107.95 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.09 96.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.927 -0.483 . . . . 0.0 110.453 170.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.24 -41.17 78.3 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.36 1.457 . . . . 0.0 112.666 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.507 HD21 HG22 ' A' ' 91' ' ' ILE . 64.6 mt -68.98 -44.23 73.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 118.178 0.989 . . . . 0.0 111.135 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.6 92.19 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.069 -1.406 . . . . 0.0 111.274 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -51.87 -52.67 47.96 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 119.593 1.696 . . . . 0.0 109.52 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.25 -34.31 72.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.052 1.751 . . . . 0.0 111.677 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -70.39 -30.62 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 120.981 -1.074 . . . . 0.0 112.116 174.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.67 -53.68 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.241 -1.537 . . . . 0.0 108.041 165.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.697 HG21 HD12 ' A' ' 35' ' ' LEU . 3.2 mm -55.28 -38.97 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.883 0.873 . . . . 0.0 109.791 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.92 -50.5 73.52 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.829 -0.544 . . . . 0.0 111.447 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -53.81 -41.94 67.86 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.92 -41.27 97.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.213 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.01 -50.35 71.14 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 124.26 1.024 . . . . 0.0 111.106 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -36.09 69.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 117.379 -1.296 . . . . 0.0 111.5 -177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.52 -57.55 7.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 120.128 1.331 . . . . 0.0 108.61 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -69.26 -10.48 58.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.646 0.778 . . . . 0.0 112.213 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.71 66.58 2.6 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 127.213 2.34 . . . . 0.0 111.953 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -146.59 179.32 7.64 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.98 1.39 . . . . 0.0 112.315 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.79 89.56 3.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.745 2.018 . . . . 0.0 108.385 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.25 113.85 17.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.572 1.549 . . . . 0.0 108.478 176.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.436 HG12 ' HE2' ' A' ' 102' ' ' LYS . 8.3 mt -128.16 146.42 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB2' HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -95.62 -178.38 4.38 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.344 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.77 167.12 19.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.125 -0.984 . . . . 0.0 111.2 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.0 m 66.45 48.43 1.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.897 1.679 . . . . 0.0 112.994 160.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -62.54 112.63 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.307 1.843 . . . . 0.0 111.527 -172.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -66.54 155.68 37.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.051 163.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.8 -34.79 73.5 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.387 0.994 . . . . 0.0 112.094 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.132 1.773 . . . . 0.0 108.619 167.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.5 mm -46.13 -55.48 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 128.216 2.607 . . . . 0.0 108.254 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.496 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 4.7 t -34.58 -67.38 0.14 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.595 1.958 . . . . 0.0 109.588 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -49.85 -44.14 49.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.235 1.014 . . . . 0.0 112.491 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.507 HG22 HD21 ' A' ' 62' ' ' LEU . 15.6 mt -64.71 -37.51 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.906 2.082 . . . . 0.0 108.986 -174.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.72 -36.94 85.9 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.8 -1.187 . . . . 0.0 109.19 173.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HE3' ' O ' ' A' ' 89' ' ' SER . 12.8 mmtp -66.4 -34.28 77.6 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 22.1 mt -55.27 -63.61 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.767 1.627 . . . . 0.0 110.655 -173.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.26 17.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.412 1.885 . . . . 0.0 112.148 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 p80 45.9 29.92 0.8 Allowed 'General case' 0 C--N 1.343 0.301 0 C-N-CA 127.501 2.32 . . . . 0.0 113.224 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.28 -25.01 64.94 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 109.419 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -61.47 -16.22 45.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.915 2.086 . . . . 0.0 114.477 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -105.86 -3.52 21.8 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 168.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.6 mt -92.66 -67.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -79.51 4.58 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.414 1.086 . . . . 0.0 112.488 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HE2' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER 52.16 -169.5 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.492 0.717 . . . . 0.0 109.231 -161.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -160.86 154.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 164.234 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 p -130.45 140.76 50.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 170.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -23.84 58.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.267 170.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 p -140.72 170.93 14.85 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 124.275 0.984 . . . . 0.0 113.332 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.45 -31.03 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.543 0.737 . . . . 0.0 111.1 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.88 -26.78 67.05 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.2 1.0 . . . . 0.0 110.348 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -89.69 6.89 39.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.096 1.358 . . . . 0.0 112.55 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.9 1.28 . . . . 0.0 111.345 -174.472 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttp . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -151.14 166.24 31.44 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 165.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -135.8 157.73 46.12 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.828 0.74 . . . . 0.0 109.548 166.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.4 142.29 17.73 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.24 1.016 . . . . 0.0 111.49 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -145.33 161.09 40.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.045 1.738 . . . . 0.0 109.699 169.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 mt -137.63 145.08 42.29 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 127.133 2.173 . . . . 0.0 106.528 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.41 33.48 5.58 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -174.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -46.64 127.13 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.412 2.285 . . . . 0.0 113.042 -164.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' GLN . 11.2 t -136.87 153.68 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 127.592 2.357 . . . . 0.0 108.928 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -127.29 28.87 5.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 111.709 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' H ' HG12 ' A' ' 9' ' ' VAL . 12.7 tt0 -66.63 169.24 8.03 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.937 1.295 . . . . 0.0 111.225 173.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 60.05 10.99 2.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.957 2.103 . . . . 0.0 114.772 168.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 15.6 m-20 72.09 11.98 5.99 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.299 2.24 . . . . 0.0 113.682 -174.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HE3' ' HB3' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -102.67 175.05 5.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 166.061 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 153.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.1 mt -129.26 140.87 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.912 -2.625 . . . . 0.0 103.912 -169.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -146.1 100.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.659 0.742 . . . . 0.0 109.468 -176.472 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -76.3 106.84 8.15 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.918 1.287 . . . . 0.0 107.86 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.71 HG21 HD23 ' A' ' 51' ' ' LEU . 11.1 t -86.18 140.17 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -128.42 109.48 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.685 1.194 . . . . 0.0 108.5 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.08 -177.83 32.09 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.522 1.534 . . . . 0.0 109.6 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.19 131.93 50.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.175 1.39 . . . . 0.0 108.908 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.53 101.74 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 122.999 1.381 . . . . 0.0 108.378 -163.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -131.11 176.34 8.35 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 126.925 2.09 . . . . 0.0 105.824 170.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.14 -16.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.03 -15.99 56.04 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.008 1.276 . . . . 0.0 112.143 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -137.96 -34.22 0.67 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.508 -168.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 p -55.0 -23.41 19.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 121.518 1.963 . . . . 0.0 110.427 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -54.18 -76.0 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.734 2.813 . . . . 0.0 110.998 163.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -81.07 -44.35 18.13 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.953 1.301 . . . . 0.0 113.555 -170.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -41.55 -38.11 1.26 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 125.208 1.403 . . . . 0.0 111.669 167.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.94 -52.27 45.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.185 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.24 -30.88 71.94 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.585 0.754 . . . . 0.0 111.31 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.94 -41.74 20.41 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -61.29 -38.32 86.37 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.586 -0.696 . . . . 0.0 112.095 168.032 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -68.03 -19.69 64.92 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.48 -0.762 . . . . 0.0 111.657 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.45 -47.94 13.59 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 119.497 1.044 . . . . 0.0 110.619 166.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -46.48 -57.06 5.06 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.271 1.829 . . . . 0.0 109.197 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -24.58 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.887 0.875 . . . . 0.0 113.165 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -76.04 -56.26 4.83 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.272 0.942 . . . . 0.0 109.743 169.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -77.21 -15.5 59.46 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.458 1.123 . . . . 0.0 113.19 -164.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.414 HG21 HD11 ' A' ' 47' ' ' ILE . 9.7 t -56.14 -25.98 48.35 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.334 2.254 . . . . 0.0 116.681 -169.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 -54.7 0.39 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 121.628 2.013 . . . . 0.0 114.348 -171.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -78.46 140.84 38.6 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 127.182 2.193 . . . . 0.0 105.114 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -83.73 -15.0 50.26 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.678 -0.639 . . . . 0.0 109.879 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 120.02 34.63 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.414 HD11 HG21 ' A' ' 42' ' ' THR . 1.7 mp -115.59 133.13 62.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.84 123.15 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -115.53 85.75 2.34 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.636 0.731 . . . . 0.0 110.754 -161.634 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.97 83.98 5.79 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.22 -165.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.71 HD23 HG21 ' A' ' 19' ' ' VAL . 9.1 mt -84.03 28.33 0.61 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.029 1.331 . . . . 0.0 110.997 -174.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 19.3 p -68.09 -9.82 49.23 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -33.5 17.04 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.216 -0.928 . . . . 0.0 109.984 172.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 t -66.33 119.8 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.96 1.704 . . . . 0.0 109.014 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -113.97 -10.2 12.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.039 1.336 . . . . 0.0 112.996 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -138.24 141.47 39.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.273 1.829 . . . . 0.0 107.035 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 ttm -151.47 103.05 2.94 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.877 1.271 . . . . 0.0 109.279 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.07 -179.08 6.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.002 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.14 74.65 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 122.837 0.455 . . . . 0.0 112.038 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.91 93.34 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 123.88 0.752 . . . . 0.0 112.483 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.612 HD22 HD12 ' A' ' 97' ' ' LEU . 12.9 mt -66.14 -44.06 85.24 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 119.156 -0.449 . . . . 0.0 110.635 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.07 91.59 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 118.735 -1.036 . . . . 0.0 112.16 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -55.47 -52.42 63.7 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.305 1.552 . . . . 0.0 110.158 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD13 HD21 ' A' ' 81' ' ' LEU . 89.0 mt -58.31 -31.41 67.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.965 1.711 . . . . 0.0 111.598 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.38 -40.94 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 121.316 -0.865 . . . . 0.0 110.98 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.64 -51.02 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.282 0.946 . . . . 0.0 108.559 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.828 HG21 HD12 ' A' ' 35' ' ' LEU . 4.7 mm -59.11 -43.1 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.762 0.425 . . . . 0.0 109.859 -174.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.12 -52.1 66.63 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.399 0.545 . . . . 0.0 110.386 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -51.03 -42.27 60.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.65 76.21 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.052 0.541 . . . . 0.0 112.179 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.78 72.51 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 124.838 1.255 . . . . 0.0 110.425 169.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -69.09 -35.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.843 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.72 -47.01 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 119.273 0.942 . . . . 0.0 109.752 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.509 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 19.7 m-80 -82.58 2.83 31.25 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 113.178 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.28 49.42 78.74 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 126.869 2.176 . . . . 0.0 111.718 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 75' ' ' ASN . 1.4 ptpm? -139.08 -179.58 5.93 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.311 1.045 . . . . 0.0 110.37 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.92 165.48 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.746 1.218 . . . . 0.0 108.661 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -149.7 108.79 3.91 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 2.7 mt -114.9 150.2 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 172.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 65' ' ' LEU . 6.5 mt -84.35 -144.31 0.08 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 117.493 -1.241 . . . . 0.0 107.835 176.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.72 160.56 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.855 2.862 . . . . 0.0 110.486 155.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 52' ' ' SER . 72.5 m 65.17 64.41 0.62 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.898 1.679 . . . . 0.0 111.465 175.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.776 HD21 HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -81.11 103.78 11.14 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.806 2.042 . . . . 0.0 110.556 -176.058 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -64.5 163.18 13.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.934 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -25.59 58.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.319 1.848 . . . . 0.0 113.156 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -77.73 -71.25 0.43 Allowed 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.94 -51.52 16.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 126.727 2.011 . . . . 0.0 108.683 -164.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.5 t -48.31 -63.06 1.18 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.557 1.071 . . . . 0.0 110.012 -175.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -42.11 57.77 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 123.519 0.727 . . . . 0.0 111.839 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.84 -48.4 86.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.08 -32.18 63.9 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 119.361 -2.087 . . . . 0.0 110.805 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -76.81 -32.58 57.71 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -18.18 61.81 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.547 1.939 . . . . 0.0 112.902 -174.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.85 3.36 12.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.908 2.883 . . . . 0.0 111.519 177.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 m170 57.54 24.61 10.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.284 1.833 . . . . 0.0 113.026 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.612 HD12 HD22 ' A' ' 62' ' ' LEU . 56.8 mt -64.31 -23.46 67.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.843 -1.161 . . . . 0.0 110.575 176.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -14.11 16.13 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 175.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -109.22 -1.5 18.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.322 0.964 . . . . 0.0 112.241 172.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.58 -39.1 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.373 1.469 . . . . 0.0 107.518 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -110.61 10.8 22.93 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.038 1.735 . . . . 0.0 111.46 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.0 tttp 50.7 -166.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 109.653 -162.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.776 HG12 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -159.91 165.54 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.185 154.072 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 p -149.22 147.57 28.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.47 -26.35 55.28 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.929 173.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.6 p -145.89 162.25 38.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.07 -28.98 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 122.584 0.354 . . . . 0.0 110.82 169.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.95 -12.82 60.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.118 1.367 . . . . 0.0 113.156 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.36 -1.87 53.06 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.161 1.346 . . . . 0.0 112.311 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.579 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.173 1.389 . . . . 0.0 110.002 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 ttp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -144.21 130.16 19.42 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.705 1.602 . . . . 0.0 109.004 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -81.88 -40.83 21.83 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.179 0.992 . . . . 0.0 110.989 171.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.412 HD13 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -85.14 162.22 19.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.907 0.483 . . . . 0.0 112.254 -153.44 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 171.88 16.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.976 0.807 . . . . 0.0 112.524 -177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.2 mt -136.24 145.87 46.1 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.086 2.154 . . . . 0.0 108.465 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 79.02 1.87 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 mt -82.91 123.66 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 123.634 0.773 . . . . 0.0 109.255 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -130.07 145.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 125.963 1.705 . . . . 0.0 107.725 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.98 19.87 10.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.147 1.379 . . . . 0.0 112.774 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 25.29 -66.88 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 1 C-N-CA 132.88 4.472 . . . . 0.0 116.985 164.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -153.02 -62.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 157.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -103.85 -21.53 13.64 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -170.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 3.4 mttp -107.82 171.67 7.27 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.058 2.143 . . . . 0.0 108.314 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.98 50.25 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 108.165 155.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mt -142.56 121.5 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 -167.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -130.04 105.76 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 118.348 0.522 . . . . 0.0 109.692 -169.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.92 98.59 4.95 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.03 0.932 . . . . 0.0 108.699 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -62.79 139.44 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.46 131.75 50.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.68 1.992 . . . . 0.0 106.9 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -139.77 11.34 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.644 ' HA ' HG13 ' A' ' 54' ' ' VAL . 8.4 m-20 -141.5 179.58 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.622 2.769 . . . . 0.0 106.086 171.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.638 HD12 HG11 ' A' ' 54' ' ' VAL . 62.4 mt -131.9 94.07 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -149.74 -168.39 3.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 120.856 -1.152 . . . . 0.0 108.676 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.66 -5.07 4.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.733 1.151 . . . . 0.0 113.694 -176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.95 -7.82 58.41 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.224 0.92 . . . . 0.0 112.502 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -150.19 -52.84 0.15 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.149 -153.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -39.45 -47.4 1.82 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.898 2.079 . . . . 0.0 109.874 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -42.63 79.06 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.934 2.094 . . . . 0.0 113.272 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -94.94 -53.7 3.74 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 127.101 2.16 . . . . 0.0 108.567 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 23' ' ' ILE . 5.5 tp -41.02 -35.93 0.6 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.933 1.693 . . . . 0.0 111.929 163.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.95 -53.13 43.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 119.056 0.843 . . . . 0.0 111.666 173.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.56 -20.15 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.693 1.197 . . . . 0.0 111.736 -175.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.35 -46.85 5.37 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.231 1.412 . . . . 0.0 107.276 -170.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 49' ' ' LEU . 33.1 mt -66.57 -25.22 66.53 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 169.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.64 -59.34 4.99 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 167.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -41.17 92.83 Favored 'General case' 0 CA--C 1.521 -0.173 0 O-C-N 123.274 0.359 . . . . 0.0 111.241 -174.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 5.8 t80 -52.49 -47.27 66.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.732 1.213 . . . . 0.0 111.908 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 71' ' ' ASP . 8.7 mm -62.14 -36.83 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.372 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -46.47 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.894 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.9 p -69.94 -43.28 71.92 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 119.387 0.994 . . . . 0.0 110.356 -170.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 t -64.27 141.06 58.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.047 0.939 . . . . 0.0 111.391 -169.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -103.27 -0.8 29.82 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.366 -0.834 . . . . 0.0 112.94 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 14.4 mmmt -79.39 142.17 36.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 172.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -91.03 -10.93 40.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.016 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 123.75 48.08 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 127.012 2.125 . . . . 0.0 106.046 177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -128.65 106.34 14.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 -167.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -104.13 108.57 24.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 HG13 ' A' ' 17' ' ' VAL . 7.2 tp -86.97 121.21 29.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -106.9 106.92 17.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -170.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.21 12.08 32.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.212 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 p -52.4 -26.06 11.55 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -168.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -48.58 11.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.075 1.35 . . . . 0.0 110.402 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.644 HG13 ' HA ' ' A' ' 22' ' ' ASP . 61.6 t -59.7 124.01 13.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 126.956 2.102 . . . . 0.0 109.206 -172.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -102.93 -24.81 13.64 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.868 0.867 . . . . 0.0 112.659 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -134.47 145.4 48.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.85 1.66 . . . . 0.0 109.833 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.504 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.75 115.37 12.83 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.853 1.261 . . . . 0.0 108.534 174.361 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.31 172.05 14.33 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.43 69.28 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.244 0.617 . . . . 0.0 112.244 171.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' HG22 ' A' ' 23' ' ' ILE . . . -71.5 -37.76 62.21 Favored Glycine 0 N--CA 1.448 -0.523 0 O-C-N 121.361 -0.837 . . . . 0.0 112.628 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.663 HD21 HG22 ' A' ' 91' ' ' ILE . 6.9 mt -59.1 -53.92 52.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.53 -21.91 69.22 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-O 118.249 -1.306 . . . . 0.0 113.367 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.44 -44.17 75.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 119.849 1.824 . . . . 0.0 110.395 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.49 -33.87 71.88 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.66 2.482 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.56 -22.34 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 122.988 0.515 . . . . 0.0 110.856 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.44 -46.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 120.264 -1.522 . . . . 0.0 110.586 170.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.22 -36.31 73.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.55 -52.92 63.6 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.516 -0.74 . . . . 0.0 112.291 166.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -51.5 -41.53 61.03 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.645 0.657 . . . . 0.0 109.88 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.525 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -68.42 -39.56 81.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.943 178.568 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.78 -44.49 73.75 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.546 1.138 . . . . 0.0 110.674 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.89 -39.75 83.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.823 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.8 -30.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 123.71 0.804 . . . . 0.0 112.422 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.511 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 33.4 m-80 -95.9 -6.82 38.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.889 0.875 . . . . 0.0 112.162 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.38 64.16 3.8 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 126.766 2.126 . . . . 0.0 111.447 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 7.9 ptpt -146.57 169.5 18.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.663 0.785 . . . . 0.0 111.452 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -80.48 170.66 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.694 1.198 . . . . 0.0 108.657 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -157.07 111.62 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.97 155.71 33.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 125.654 1.582 . . . . 0.0 108.731 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -125.0 169.49 12.07 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.651 0.781 . . . . 0.0 109.447 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 t -164.8 162.95 21.31 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -159.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m 49.95 65.11 1.52 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 123.46 1.6 . . . . 0.0 112.853 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD21 HG12 ' A' ' 103' ' ' ILE . 1.8 mp -76.83 95.85 4.16 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.759 1.624 . . . . 0.0 112.085 -170.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.38 83.29 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.315 1.446 . . . . 0.0 109.61 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 27.02 -77.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.995 3.718 . . . . 0.0 115.528 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.488 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -39.49 -69.09 0.14 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.037 1.335 . . . . 0.0 110.082 166.845 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.442 HD11 HG12 ' A' ' 54' ' ' VAL . 1.7 mp -49.06 -52.42 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.423 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.5 t -43.57 -65.54 0.48 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 29.8 ptt85 -61.74 -40.76 96.26 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 120.987 -1.071 . . . . 0.0 112.435 -166.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.663 HG22 HD21 ' A' ' 62' ' ' LEU . 25.1 mt -52.19 -39.54 27.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 126.971 2.108 . . . . 0.0 109.915 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 103' ' ' ILE . 5.9 mt -69.37 -39.62 77.94 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 120.498 -1.376 . . . . 0.0 109.558 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -75.76 -14.85 60.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.93 -71.2 0.16 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 120.587 1.539 . . . . 0.0 108.163 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.39 11.24 4.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.916 0.886 . . . . 0.0 111.061 -176.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m80 61.45 25.54 15.46 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.801 1.64 . . . . 0.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.709 HD23 HD12 ' A' ' 100' ' ' ILE . 84.2 mt -60.6 -21.56 62.8 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.754 -1.216 . . . . 0.0 112.435 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.07 -7.0 2.22 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 119.58 1.082 . . . . 0.0 111.856 168.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -107.59 -0.06 22.26 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 117.756 -3.09 . . . . 0.0 113.229 166.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.709 HD12 HD23 ' A' ' 97' ' ' LEU . 96.3 mt -105.48 -33.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 126.365 1.866 . . . . 0.0 109.027 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CD2' HD11 ' A' ' 81' ' ' LEU . 4.6 m-85 -122.58 7.49 9.49 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 127.359 2.264 . . . . 0.0 112.684 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.2 ttpp 48.33 -159.44 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -163.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.629 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -174.76 156.8 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 126.908 2.083 . . . . 0.0 107.49 165.633 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -137.5 142.14 41.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -41.06 81.0 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 117.579 -1.648 . . . . 0.0 108.552 166.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.9 p -139.62 163.6 32.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.618 0.767 . . . . 0.0 111.715 -172.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.2 p -54.89 -28.92 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.548 1.939 . . . . 0.0 111.714 173.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.99 -9.56 58.55 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.222 1.409 . . . . 0.0 112.052 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.81 3.75 37.07 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.781 1.232 . . . . 0.0 112.94 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.583 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.746 0.819 . . . . 0.0 110.656 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mtt . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -151.97 168.45 25.15 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 126.788 2.035 . . . . 0.0 107.668 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -118.92 -53.58 2.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.592 1.557 . . . . 0.0 108.864 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.78 139.89 58.81 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.149 1.78 . . . . 0.0 110.47 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.67 164.62 27.8 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 126.562 1.945 . . . . 0.0 110.338 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -150.52 95.61 2.26 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.303 1.841 . . . . 0.0 108.026 -164.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.44 73.44 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.56 -165.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 mt -78.4 124.44 36.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.023 1.329 . . . . 0.0 108.981 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.9 t -134.43 147.9 29.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 127.307 2.243 . . . . 0.0 106.678 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -129.36 -91.61 0.46 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.3 0.64 . . . . 0.0 110.531 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 25.79 66.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.619 3.168 . . . . 0.0 113.232 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 179.21 -106.75 0.0 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 103.733 -2.692 . . . . 0.0 103.733 157.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -150.42 48.13 0.89 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.55 1.54 . . . . 0.0 110.7 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -154.78 127.96 8.34 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 126.784 2.034 . . . . 0.0 108.067 166.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.07 125.67 35.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.2 mt -125.54 134.16 67.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 -174.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG13 HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -136.09 109.31 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 13.0 mtp180 -79.84 96.33 6.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 t -66.33 124.09 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -138.56 112.84 8.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.041 1.336 . . . . 0.0 107.982 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.62 148.58 10.53 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.47 169.24 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.825 1.25 . . . . 0.0 110.759 -163.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.54 HG23 HD22 ' A' ' 31' ' ' LEU . 96.4 mt -127.67 13.83 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.89 -0.506 . . . . 0.0 110.537 -160.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.25 -167.7 1.11 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.937 -2.352 . . . . 0.0 110.178 -169.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -6.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 119.879 -1.763 . . . . 0.0 114.373 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -86.99 -12.12 48.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 120.412 1.46 . . . . 0.0 112.112 170.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -142.26 -36.38 0.41 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.419 -167.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -48.72 -41.42 31.91 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 122.934 2.606 . . . . 0.0 109.898 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.87 -41.54 3.33 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.715 2.406 . . . . 0.0 113.597 170.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -108.41 -43.85 4.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 120.068 1.304 . . . . 0.0 112.814 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -42.19 -39.94 2.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 109.608 168.204 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -61.63 -54.22 45.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.8 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -65.15 -31.13 72.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.762 0.71 . . . . 0.0 111.564 -174.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -81.3 -39.58 24.97 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.94 -31.25 69.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 112.781 171.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -52.62 64.51 Favored 'General case' 0 CA--C 1.518 -0.264 0 O-C-N 121.088 -1.008 . . . . 0.0 108.752 171.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.68 -37.6 84.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.371 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.5 t80 -52.69 -52.27 56.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.987 0.515 . . . . 0.0 109.923 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.76 -33.74 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.348 0.659 . . . . 0.0 111.709 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -77.2 -19.97 55.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 113.864 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -114.27 17.19 17.73 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.914 1.285 . . . . 0.0 109.973 -171.115 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -123.94 104.03 8.68 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.764 -1.21 . . . . 0.0 110.082 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -73.14 14.37 0.31 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.56 -1.337 . . . . 0.0 113.581 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -102.26 134.71 45.11 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 119.893 -1.755 . . . . 0.0 107.572 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.41 -6.91 16.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.268 171.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' C ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -133.61 118.1 17.82 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.099 1.76 . . . . 0.0 107.976 -165.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 46' ' ' LYS . 1.8 mp -119.76 131.76 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -176.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.81 98.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 128.0 2.52 . . . . 0.0 105.866 -172.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.63 HD12 HG13 ' A' ' 17' ' ' VAL . 8.8 tp -88.25 100.84 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.34 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 2.7 t70 -96.21 117.6 31.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.782 0.833 . . . . 0.0 111.341 -165.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' HB3' HG12 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -120.9 21.04 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.97 -0.456 . . . . 0.0 111.585 -168.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -49.83 -37.76 32.0 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.462 0.705 . . . . 0.0 111.073 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -76.25 -45.37 33.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' A' ' 51' ' ' LEU . 3.4 p -72.79 -178.75 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.153 0.502 . . . . 0.0 110.183 -168.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -155.58 -34.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.616 -1.303 . . . . 0.0 111.276 165.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.13 126.21 31.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -170.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.4 ttm -147.99 152.85 38.17 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 165.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -134.57 175.75 9.25 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 129.929 3.291 . . . . 0.0 107.327 -173.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.27 82.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.938 0.79 . . . . 0.0 111.55 170.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.77 -37.52 39.21 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 125.357 1.456 . . . . 0.0 113.066 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 91' ' ' ILE . 15.9 mt -64.4 -52.35 58.64 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 117.845 0.823 . . . . 0.0 110.601 -170.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -61.85 -21.21 60.75 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-O 117.911 -1.494 . . . . 0.0 111.915 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -65.88 -49.19 68.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 119.132 1.466 . . . . 0.0 110.082 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.02 -35.53 73.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 121.483 1.947 . . . . 0.0 111.283 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -63.57 -35.17 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.525 0.73 . . . . 0.0 110.559 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 63' ' ' GLY . 74.0 t -64.69 -48.98 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 120.505 -1.372 . . . . 0.0 109.662 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.1 -36.06 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.41 -53.5 56.78 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.56 0.618 . . . . 0.0 110.578 170.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -51.69 -44.62 63.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 110.306 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.64 71.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.681 0.792 . . . . 0.0 110.725 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.72 -47.08 83.42 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.732 0.813 . . . . 0.0 110.607 171.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -77.06 -22.73 52.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.252 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 164.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -72.89 -4.5 32.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.816 0.846 . . . . 0.0 112.917 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.07 53.29 5.79 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 126.419 1.961 . . . . 0.0 113.267 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.73 173.49 11.43 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.963 -1.316 . . . . 0.0 112.242 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.12 169.1 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.566 1.547 . . . . 0.0 109.477 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -161.87 106.08 1.23 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -170.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 33.4 mt -135.54 152.71 31.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 124.7 1.2 . . . . 0.0 109.375 -169.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.47 167.13 10.55 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.664 0.745 . . . . 0.0 109.489 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 m -156.15 148.96 24.02 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.058 1.343 . . . . 0.0 109.947 -166.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.7 m 54.67 62.95 2.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.518 2.327 . . . . 0.0 114.252 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD21 HG12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -73.85 99.14 3.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.094 2.958 . . . . 0.0 111.229 178.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -55.4 152.06 9.21 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.728 165.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -47.61 -53.79 13.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.752 1.615 . . . . 0.0 111.476 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -71.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.403 1.881 . . . . 0.0 110.553 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -48.84 -52.03 10.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 C-N-CA 125.609 1.564 . . . . 0.0 108.885 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 11.6 t -46.4 -56.92 5.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.4 1.48 . . . . 0.0 108.789 -171.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -41.38 85.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 120.275 1.398 . . . . 0.0 111.061 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.552 ' O ' HD21 ' A' ' 62' ' ' LEU . 65.7 mt -67.47 -7.04 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 O-C-N 125.383 1.677 . . . . 0.0 107.286 -171.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -92.67 -45.47 8.04 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 118.423 -2.673 . . . . 0.0 110.242 164.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HE3' ' O ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -67.5 -24.3 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.819 -1.176 . . . . 0.0 112.273 -175.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -60.98 -15.54 32.77 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 129.132 2.973 . . . . 0.0 114.982 -173.503 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 21.29 2.53 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.843 1.257 . . . . 0.0 111.39 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m170 52.63 31.03 9.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.002 0.921 . . . . 0.0 112.814 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.432 HD23 HD12 ' A' ' 100' ' ' ILE . 72.5 mt -62.18 -32.13 72.72 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.72 -6.72 8.52 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.813 2.045 . . . . 0.0 115.204 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -119.15 -2.19 10.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.533 1.06 . . . . 0.0 112.528 167.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.432 HD12 HD23 ' A' ' 97' ' ' LEU . 78.9 mt -84.44 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 165.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 2.9 m-30 -76.15 5.28 7.04 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.937 2.095 . . . . 0.0 112.55 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.99 -171.46 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.529 0.68 . . . . 0.0 110.258 -161.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.687 HG12 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -160.88 152.61 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 O-C-N 121.257 -0.902 . . . . 0.0 108.756 160.159 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -131.04 155.21 47.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.11 -48.18 58.71 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.344 -1.472 . . . . 0.0 108.826 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 p -143.24 164.41 30.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.36 1.064 . . . . 0.0 109.353 -166.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.23 -20.89 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.162 -171.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -13.87 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.504 0.593 . . . . 0.0 110.859 170.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.06 0.31 34.76 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.508 -0.745 . . . . 0.0 111.313 172.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 124.896 1.278 . . . . 0.0 109.615 170.509 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.59 -62.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 130.008 3.323 . . . . 0.0 112.27 -166.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m120 76.11 -64.12 0.36 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.828 2.051 . . . . 0.0 109.86 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp -66.56 139.63 57.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.069 0.948 . . . . 0.0 108.519 162.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.37 156.23 48.02 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.595 1.958 . . . . 0.0 108.172 170.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.4 mt -137.65 135.2 36.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -132.11 84.55 2.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.34 0.591 . . . . 0.0 110.614 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -76.04 143.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.721 1.609 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -145.38 137.05 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 128.197 2.599 . . . . 0.0 107.957 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -142.51 57.85 1.44 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.597 1.09 . . . . 0.0 113.07 -167.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -86.56 -75.88 0.37 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.657 1.117 . . . . 0.0 111.396 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 14' ' ' LYS . 3.9 p-10 -74.2 46.83 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.108 2.963 . . . . 0.0 112.626 -168.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 59.11 -12.88 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 129.338 3.055 . . . . 0.0 115.41 -178.207 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 12' ' ' ASP . 14.7 ttmt -79.57 135.4 36.59 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 131.072 3.749 . . . . 0.0 106.127 166.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.97 33.79 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 151.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.53 128.96 70.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.75 HG13 HD12 ' A' ' 49' ' ' LEU . 1.1 p -137.4 119.73 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 119.441 1.019 . . . . 0.0 110.326 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -75.56 105.5 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.898 0.879 . . . . 0.0 109.432 176.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.1 122.13 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -129.4 119.83 24.5 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.187 2.595 . . . . 0.0 106.05 -169.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.11 -153.33 24.78 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -146.24 16.34 1.34 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt 25.75 61.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 131.687 3.995 . . . . 0.0 113.741 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.85 -176.65 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 120.539 -1.351 . . . . 0.0 109.794 172.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -12.1 0.16 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.563 1.545 . . . . 0.0 114.238 158.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.9 0.29 57.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.532 1.933 . . . . 0.0 112.265 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -153.16 -40.36 0.1 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.774 -167.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -20.16 64.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.035 1.743 . . . . 0.0 112.746 -171.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -27.48 66.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.638 1.975 . . . . 0.0 110.956 169.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.74 -48.51 4.27 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 129.528 3.131 . . . . 0.0 109.995 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -36.69 -46.35 0.59 Allowed 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.07 2.148 . . . . 0.0 109.506 169.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.18 -50.23 74.5 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.592 0.558 . . . . 0.0 111.573 -175.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.23 -35.89 81.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.039 0.536 . . . . 0.0 110.358 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.93 -38.27 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -168.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -66.07 -43.24 87.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.314 1.045 . . . . 0.0 111.034 167.47 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -51.04 65.17 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.21 -49.54 63.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.834 1.653 . . . . 0.0 110.214 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.2 t80 -58.34 -55.07 39.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.145 1.378 . . . . 0.0 110.316 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -31.22 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.216 1.406 . . . . 0.0 110.89 176.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -64.21 -57.89 8.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.204 1.001 . . . . 0.0 109.854 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -93.6 -12.35 29.67 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -158.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -58.25 -33.16 69.08 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.9 -12.42 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -156.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 20.5 mmmt -79.32 135.42 36.73 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 121.569 1.986 . . . . 0.0 107.532 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.3 8.22 19.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.495 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 105.81 4.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -171.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.58 123.68 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 N-CA-C 103.243 -2.873 . . . . 0.0 103.243 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.11 110.01 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD12 HG13 ' A' ' 17' ' ' VAL . 15.7 tp -103.66 96.71 6.9 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.19 -1.368 . . . . 0.0 107.669 -169.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -79.83 99.46 7.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.638 1.975 . . . . 0.0 107.012 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 17.8 3.02 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 119.872 -1.767 . . . . 0.0 111.711 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -50.13 -36.96 31.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.409 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -89.79 -29.47 18.64 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -169.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.38 -177.54 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 119.289 0.95 . . . . 0.0 108.788 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -147.42 -30.97 0.32 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.311 -2.118 . . . . 0.0 113.726 163.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -119.8 167.99 11.54 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.381 1.072 . . . . 0.0 108.343 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.2 ttm -169.25 125.67 0.91 Allowed 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.647 1.979 . . . . 0.0 107.788 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.77 172.31 13.02 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.985 0.914 . . . . 0.0 110.722 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.89 77.91 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.561 -0.712 . . . . 0.0 110.251 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.73 -27.48 64.11 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.352 -1.249 . . . . 0.0 115.433 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 62' ' ' LEU . 6.5 tp -70.33 -59.9 2.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.108 1.954 . . . . 0.0 109.339 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.72 -19.94 75.39 Favored Glycine 0 N--CA 1.437 -1.253 0 O-C-N 123.785 0.678 . . . . 0.0 112.161 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.1 m -52.06 -53.6 40.19 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.598 1.199 . . . . 0.0 109.298 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.21 -30.51 69.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.514 1.506 . . . . 0.0 111.252 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.72 -40.22 85.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 121.535 -0.728 . . . . 0.0 110.721 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.24 -50.26 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 120.759 -1.213 . . . . 0.0 109.854 170.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 35' ' ' LEU . 3.3 mm -57.15 -43.8 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -174.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.86 -54.79 43.18 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.881 0.764 . . . . 0.0 110.479 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -52.39 -38.35 58.7 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.845 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -43.89 91.3 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.193 0.997 . . . . 0.0 112.896 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.1 -52.19 27.3 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.261 1.424 . . . . 0.0 109.02 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -67.99 -41.73 81.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.192 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.0 -43.52 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.602 1.561 . . . . 0.0 111.085 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -84.19 -6.92 59.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.125 0.97 . . . . 0.0 112.283 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.15 49.51 6.29 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 118.335 -1.258 . . . . 0.0 113.995 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.04 167.13 23.41 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.976 1.888 . . . . 0.0 113.399 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.17 170.92 15.82 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.4 1.08 . . . . 0.0 109.933 169.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -151.42 136.1 17.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.598 1.559 . . . . 0.0 107.895 174.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.1 mt -156.06 145.96 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 128.121 2.569 . . . . 0.0 104.368 -169.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -123.36 172.03 8.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.105 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -161.97 154.8 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.548 1.539 . . . . 0.0 110.758 -158.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m 65.37 49.63 1.86 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.117 1.767 . . . . 0.0 113.725 167.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.554 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -71.89 110.0 6.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.705 2.402 . . . . 0.0 111.253 -174.02 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -70.22 156.54 39.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.073 -1.422 . . . . 0.0 110.566 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.21 -31.93 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 120.151 1.342 . . . . 0.0 114.112 -170.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -71.0 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 120.153 1.342 . . . . 0.0 108.303 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 91' ' ' ILE . 6.4 mm -45.24 -50.4 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 128.391 2.676 . . . . 0.0 109.887 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.7 t -48.43 -55.25 11.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.026 1.33 . . . . 0.0 108.845 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.38 -40.74 95.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.601 -1.312 . . . . 0.0 110.899 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 88' ' ' ILE . 2.7 mt -55.22 -44.66 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.304 1.042 . . . . 0.0 109.626 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 103' ' ' ILE . 4.7 mt -61.98 -39.5 92.41 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.103 -0.998 . . . . 0.0 109.923 178.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -26.48 62.35 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 9.0 mt -56.07 -68.52 0.2 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.115 1.766 . . . . 0.0 108.251 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.74 12.72 0.98 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.722 1.609 . . . . 0.0 112.643 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB3' ' HE3' ' A' ' 99' ' ' LYS . 82.8 m-70 46.71 27.53 0.68 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 126.416 1.887 . . . . 0.0 113.218 -170.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.3 -27.15 68.27 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.148 -0.97 . . . . 0.0 109.228 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.73 -16.34 38.92 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' HE3' ' HB3' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.888 1.222 . . . . 0.0 110.051 165.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.7 mt -68.83 -34.13 62.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.312 1.445 . . . . 0.0 110.029 -167.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.637 ' HB2' HD21 ' A' ' 81' ' ' LEU . 4.5 m-85 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 126.512 1.925 . . . . 0.0 111.312 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 49.6 -167.19 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -156.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.571 HD11 HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -166.07 160.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 158.438 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 109' ' ' GLU . 43.2 p -136.15 154.12 51.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.918 1.236 . . . . 0.0 111.244 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.34 -49.96 56.65 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -134.1 165.67 24.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 122.147 0.975 . . . . 0.0 112.305 -169.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.92 -34.1 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.255 1.422 . . . . 0.0 109.936 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -71.7 -14.62 62.08 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.217 1.007 . . . . 0.0 112.343 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' A' ' 104' ' ' THR . 3.5 mp0 -85.24 -12.34 52.74 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.783 1.174 . . . . 0.0 112.612 170.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -172.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 120.497 0.189 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 26.64 63.5 0.08 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 129.795 3.238 . . . . 0.0 113.407 -172.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -99.84 -53.17 3.24 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 123.606 0.762 . . . . 0.0 108.981 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.66 144.37 55.54 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.888 0.875 . . . . 0.0 109.854 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.99 166.56 22.75 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.926 1.29 . . . . 0.0 110.364 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -142.82 105.33 4.47 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.204 1.401 . . . . 0.0 107.781 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.46 86.26 3.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG12 HG22 ' A' ' 17' ' ' VAL . 20.3 mt -84.0 138.71 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.82 120.05 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 119.563 1.074 . . . . 0.0 108.71 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' HB3' ' HZ2' ' A' ' 44' ' ' LYS . 52.9 mt-10 -82.66 87.83 6.72 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 166.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.92 -175.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.607 2.363 . . . . 0.0 109.921 167.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -36.7 -50.58 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.717 2.007 . . . . 0.0 113.523 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -140.0 -2.19 1.52 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.444 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -114.01 156.98 23.1 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.655 2.382 . . . . 0.0 109.22 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.16 110.02 21.99 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 129.043 2.937 . . . . 0.0 108.679 165.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -97.02 147.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.559 1.544 . . . . 0.0 107.613 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 38' ' ' PHE . 97.6 t -133.11 101.66 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 119.126 0.876 . . . . 0.0 110.319 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.31 99.49 6.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.01 141.18 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.59 106.69 9.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.18 174.31 13.46 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.29 -173.2 2.6 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.729 1.611 . . . . 0.0 108.976 172.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mt -138.07 101.11 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 120.495 -1.378 . . . . 0.0 109.802 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -133.46 -174.22 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 127.423 2.289 . . . . 0.0 107.659 169.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.27 3.36 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.121 -1.612 . . . . 0.0 115.23 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -83.66 -21.44 32.44 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.886 1.221 . . . . 0.0 111.298 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -125.36 -48.58 1.7 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.04 -164.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.3 p -50.73 -40.27 54.01 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.886 1.274 . . . . 0.0 109.93 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.6 m -48.34 -30.8 5.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.819 2.848 . . . . 0.0 113.381 171.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.5 -49.62 2.82 Favored 'General case' 0 C--O 1.226 -0.164 0 C-N-CA 125.993 1.717 . . . . 0.0 109.694 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tt -45.8 -33.87 3.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.833 1.253 . . . . 0.0 111.017 167.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -65.61 -60.56 2.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.626 1.103 . . . . 0.0 113.085 173.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -64.92 -21.86 66.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.372 0.533 . . . . 0.0 111.029 -169.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -86.42 -41.59 14.32 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.199 1.0 . . . . 0.0 108.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -60.88 -42.27 97.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.303 0.956 . . . . 0.0 112.144 171.048 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -65.72 -34.4 78.1 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.389 -0.82 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.49 -47.85 68.83 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.71 172.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 17' ' ' VAL . 1.6 t80 -45.36 -50.91 11.83 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 126.558 1.943 . . . . 0.0 109.388 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.472 HG21 ' HB3' ' A' ' 71' ' ' ASP . 3.0 mm -54.04 -48.28 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 112.149 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 t -67.93 -36.25 79.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.796 0.838 . . . . 0.0 111.06 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -97.06 2.21 51.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.18 0.992 . . . . 0.0 111.571 -166.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -114.2 124.96 53.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.72 1.208 . . . . 0.0 108.977 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.7 m -92.06 5.98 48.2 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.859 -1.151 . . . . 0.0 113.491 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 6.0 mmmm -78.35 127.36 32.11 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.737 -2.32 . . . . 0.0 104.737 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -68.77 -10.53 57.12 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.662 169.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 117.0 32.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.748 1.158 . . . . 0.0 108.895 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HE3' ' A' ' 77' ' ' LYS . 50.2 mm -115.74 117.6 56.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 128.241 2.616 . . . . 0.0 106.7 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -121.8 101.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.83 120.34 23.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.07 119.9 32.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.22 31.88 4.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.002 0.921 . . . . 0.0 109.54 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 t -64.73 -13.41 54.62 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.327 1.451 . . . . 0.0 111.941 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 t -106.5 -28.0 10.57 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.795 -1.19 . . . . 0.0 111.607 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 t -73.18 122.01 25.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -114.77 -34.31 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.387 0.675 . . . . 0.0 111.968 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -108.98 140.77 42.03 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.205 1.802 . . . . 0.0 108.669 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.2 ttm -149.72 107.64 3.71 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.665 1.186 . . . . 0.0 109.181 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.95 176.72 9.49 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.823 0.702 . . . . 0.0 111.275 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.39 64.09 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.495 -0.753 . . . . 0.0 111.408 164.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.46 11.44 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 126.971 2.224 . . . . 0.0 113.926 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 91' ' ' ILE . 10.7 mt -64.3 -53.03 55.34 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.415 1.086 . . . . 0.0 109.638 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.25 -32.35 60.22 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-O 119.007 -0.885 . . . . 0.0 112.075 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.7 m -52.24 -53.94 37.4 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 118.936 1.368 . . . . 0.0 110.61 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.13 -30.21 70.87 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 110.51 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.21 -36.53 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.391 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -54.28 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.107 1.363 . . . . 0.0 107.924 171.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.703 HG21 HD12 ' A' ' 35' ' ' LEU . 3.7 mm -59.35 -38.17 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -173.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.22 -55.48 33.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.517 -0.739 . . . . 0.0 110.497 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -54.07 -38.68 65.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.139 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -70.81 -31.83 68.71 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.462 0.574 . . . . 0.0 111.468 178.643 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.44 69.1 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.272 1.029 . . . . 0.0 110.554 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.174 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.04 -57.05 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 119.438 1.017 . . . . 0.0 109.016 167.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.73 0.28 21.07 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.3 50.51 66.87 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 126.517 2.008 . . . . 0.0 111.648 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HE3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.78 167.18 16.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.151 0.98 . . . . 0.0 110.133 175.584 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.67 169.54 17.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.768 170.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.58 118.08 5.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.392 1.477 . . . . 0.0 107.462 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 56.2 mt -132.74 158.03 43.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 124.418 1.074 . . . . 0.0 109.426 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.455 HD12 HG13 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -119.32 171.83 8.04 Favored 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 123.335 0.654 . . . . 0.0 110.255 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.51 161.77 30.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.891 1.276 . . . . 0.0 109.475 -170.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 m 58.84 51.26 7.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.428 1.891 . . . . 0.0 112.881 174.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -73.72 114.66 12.24 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 131.017 3.727 . . . . 0.0 110.494 -176.155 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -74.51 159.9 31.63 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.779 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -56.19 -31.02 63.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.196 0.998 . . . . 0.0 111.857 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -74.37 0.13 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.078 0.951 . . . . 0.0 110.403 165.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mm -52.34 -55.07 11.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 125.239 1.416 . . . . 0.0 108.229 -166.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -40.87 -54.72 2.64 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.988 1.715 . . . . 0.0 109.356 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -61.73 -47.0 87.2 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.854 -1.154 . . . . 0.0 111.866 178.337 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.451 HG22 HD21 ' A' ' 62' ' ' LEU . 68.1 mt -58.62 -31.74 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.555 1.542 . . . . 0.0 110.42 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.409 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.9 mm? -69.59 -49.46 53.87 Favored 'General case' 0 C--O 1.232 0.143 0 O-C-N 120.605 -1.309 . . . . 0.0 108.326 173.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 3.0 mppt? -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mp -49.98 -69.9 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.861 1.665 . . . . 0.0 109.818 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -77.64 16.44 0.66 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.92 0.888 . . . . 0.0 110.27 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.47 35.63 18.16 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 127.358 2.263 . . . . 0.0 111.752 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.537 HD23 HD12 ' A' ' 100' ' ' ILE . 79.3 mt -73.38 -22.45 60.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.234 1.014 . . . . 0.0 110.578 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -69.95 -8.94 53.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 110.82 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -101.21 1.1 38.64 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.944 -1.723 . . . . 0.0 112.87 166.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.537 HD12 HD23 ' A' ' 97' ' ' LEU . 47.9 mt -106.75 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -92.92 12.21 24.62 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.782 1.233 . . . . 0.0 111.697 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.574 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 7.0 tttp 46.93 -153.7 0.06 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.16 0.984 . . . . 0.0 108.929 -169.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.574 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -171.55 163.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 127.553 2.341 . . . . 0.0 109.782 163.596 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.0 p -140.59 148.72 41.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.62 1.1 . . . . 0.0 109.916 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.6 -22.39 50.93 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.529 -0.732 . . . . 0.0 112.398 170.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.4 p -148.68 167.47 25.43 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.151 0.98 . . . . 0.0 110.606 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.67 -25.42 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 121.621 -0.674 . . . . 0.0 110.091 168.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.1 -8.62 55.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.792 1.237 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.02 -3.66 34.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.074 0.95 . . . . 0.0 112.378 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.575 -1.202 . . . . 0.0 112.945 -157.759 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -138.16 150.91 47.23 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.03 -59.73 1.79 Allowed 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 119.322 -0.371 . . . . 0.0 110.048 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.55 137.79 50.42 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 123.381 0.425 . . . . 0.0 110.055 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -124.72 162.51 24.06 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 128.633 2.773 . . . . 0.0 109.672 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -149.46 100.2 2.98 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.423 1.489 . . . . 0.0 107.333 -171.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 47.9 t0 -83.35 72.76 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.85 117.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.4 t -128.97 135.62 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 126.543 1.937 . . . . 0.0 107.806 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -145.11 96.67 2.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.201 1.0 . . . . 0.0 109.789 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -131.55 -96.44 0.34 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.874 162.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -49.03 78.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 130.199 3.4 . . . . 0.0 113.549 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.256 1.1 m-20 24.68 44.13 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 130.227 3.411 . . . . 0.0 115.771 -164.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD3' HG21 ' A' ' 48' ' ' VAL . 12.2 ttmt -155.56 158.44 38.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.288 -1.507 . . . . 0.0 109.073 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.88 125.71 51.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 162.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -129.86 123.07 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -127.09 106.92 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -171.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 71.8 mtt180 -78.7 98.47 6.24 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.465 0.65 . . . . 0.0 111.139 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.54 127.28 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.967 1.707 . . . . 0.0 108.382 168.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -139.08 114.87 10.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.801 1.64 . . . . 0.0 107.288 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 143.64 169.66 12.84 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -79.22 158.95 27.52 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 164.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.8 mt -132.55 92.72 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.121 0.969 . . . . 0.0 108.429 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -125.16 -170.12 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 128.019 2.528 . . . . 0.0 108.053 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.89 -7.26 0.29 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 170.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.27 10.58 23.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.569 1.947 . . . . 0.0 111.248 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -152.89 -38.26 0.1 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 117.771 -1.109 . . . . 0.0 111.684 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 p -55.69 -37.79 68.81 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 119.922 1.237 . . . . 0.0 110.424 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.76 -40.16 54.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.115 1.766 . . . . 0.0 110.795 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.7 -51.27 5.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.179 1.392 . . . . 0.0 111.552 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -47.3 -35.43 7.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.03 1.332 . . . . 0.0 109.526 171.518 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -62.42 -59.87 4.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.754 0.707 . . . . 0.0 111.228 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.7 -22.12 60.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.15 -166.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -81.47 -36.65 29.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD13 HD21 ' A' ' 49' ' ' LEU . 18.3 mt -73.27 -32.18 64.52 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.217 0.607 . . . . 0.0 111.972 172.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -60.38 -52.28 65.93 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -43.98 80.68 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.727 0.694 . . . . 0.0 111.095 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.4 t80 -52.49 -55.55 21.26 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.507 1.523 . . . . 0.0 111.393 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.03 -24.76 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.218 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -65.74 -40.58 92.29 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.147 0.979 . . . . 0.0 111.001 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -91.4 -95.6 0.13 Allowed 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.282 9.0 t 40.16 -164.61 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.53 2.732 . . . . 0.0 112.711 -174.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.46 11.35 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.73 1.612 . . . . 0.0 111.455 168.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -119.88 144.96 47.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.38 1.872 . . . . 0.0 106.934 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.47 -10.5 48.87 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.2 112.49 24.5 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -174.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -107.44 123.72 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -174.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.425 HG21 ' HD3' ' A' ' 14' ' ' LYS . 99.1 t -112.51 96.87 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 17' ' ' VAL . 5.2 tp -79.32 104.04 9.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 3.4 t0 -91.76 113.04 25.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -171.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.599 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -109.67 37.36 2.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.304 0.956 . . . . 0.0 110.796 177.768 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.472 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 1.9 t -64.49 -17.08 63.53 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -119.42 -15.22 9.1 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -170.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.599 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 11.9 p -70.77 168.68 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 120.293 1.406 . . . . 0.0 109.754 160.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.7 m -147.63 -34.78 0.24 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.997 2.119 . . . . 0.0 109.942 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -90.65 125.82 35.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.093 1.357 . . . . 0.0 108.74 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.4 ttp -137.95 134.74 35.29 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 162.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.87 171.89 7.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.846 0.716 . . . . 0.0 111.88 168.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.06 75.12 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 120.695 1.589 . . . . 0.0 112.206 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.95 -29.13 74.4 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 125.311 1.434 . . . . 0.0 112.344 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD13 HG22 ' A' ' 91' ' ' ILE . 22.3 tp -76.05 -55.53 5.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 117.659 0.729 . . . . 0.0 110.518 -173.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.83 -27.0 55.54 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 118.551 -1.138 . . . . 0.0 111.832 172.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.503 HG21 HD23 ' A' ' 31' ' ' LEU . 45.7 m -57.4 -45.5 84.49 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.492 1.646 . . . . 0.0 110.185 171.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.37 -31.21 70.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 122.17 2.259 . . . . 0.0 111.115 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.82 -28.64 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.206 0.602 . . . . 0.0 110.081 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.46 -51.87 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.111 -1.618 . . . . 0.0 109.253 164.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -58.43 -37.35 63.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.329 1.052 . . . . 0.0 109.231 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.1 -48.81 80.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-O 118.704 -0.665 . . . . 0.0 111.099 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -52.48 -39.35 61.08 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.524 0.602 . . . . 0.0 109.997 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -41.26 74.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.631 0.773 . . . . 0.0 111.473 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -53.04 56.41 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.211 0.914 . . . . 0.0 110.888 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -69.21 -34.14 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 117.362 -1.304 . . . . 0.0 111.336 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -56.02 -53.49 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.727 1.211 . . . . 0.0 110.238 168.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -75.0 -7.31 53.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.3 56.53 6.81 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 128.769 3.08 . . . . 0.0 111.977 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 177.45 7.97 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.909 0.855 . . . . 0.0 112.243 -175.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -79.76 -173.46 3.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.529 1.157 . . . . 0.0 107.897 169.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.98 124.12 0.43 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 129.99 3.316 . . . . 0.0 108.43 167.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 102' ' ' LYS . 34.2 mt -130.0 164.47 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.609 1.563 . . . . 0.0 108.159 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.18 177.53 4.69 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.764 0.826 . . . . 0.0 110.919 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.53 157.76 32.69 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.882 1.273 . . . . 0.0 112.694 -174.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m 68.25 44.23 1.41 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.267 2.227 . . . . 0.0 114.041 160.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.855 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -60.89 103.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 126.888 2.075 . . . . 0.0 113.025 -169.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 52' ' ' SER . 6.8 mmtt -72.06 76.97 0.94 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.98 2.512 . . . . 0.0 107.357 169.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 36.73 -77.85 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 129.208 3.003 . . . . 0.0 115.197 157.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -45.33 -61.86 1.5 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.233 1.813 . . . . 0.0 110.898 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 mm -52.42 -57.15 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 C-N-CA 126.693 1.997 . . . . 0.0 107.98 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 4.0 t -39.27 -55.53 1.68 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 108.777 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -55.41 -49.06 73.35 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.312 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.576 HG22 HD13 ' A' ' 62' ' ' LEU . 32.9 mt -62.28 -34.35 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 126.175 1.79 . . . . 0.0 109.197 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -51.69 64.25 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 169.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -59.67 -6.8 1.27 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 172.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.8 -68.75 0.62 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 121.072 1.76 . . . . 0.0 108.366 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.4 m -78.29 17.49 0.63 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.843 1.201 . . . . 0.0 113.012 -173.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 m170 57.35 30.62 18.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.043 -1.66 . . . . 0.0 110.851 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 62' ' ' LEU . 82.1 mt -66.1 -24.02 66.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.899 0.88 . . . . 0.0 110.969 -178.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -67.83 -6.43 21.45 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.759 2.424 . . . . 0.0 113.341 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -119.51 7.18 11.1 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.213 1.405 . . . . 0.0 111.824 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -106.46 -70.07 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -82.5 18.61 1.44 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.242 1.017 . . . . 0.0 110.502 174.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 80' ' ' ILE . 3.1 ttpp 44.2 -157.46 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.979 0.912 . . . . 0.0 109.567 -169.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -166.06 160.59 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.154 155.46 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -140.78 164.63 29.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.842 1.201 . . . . 0.0 108.336 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.81 -35.03 26.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.749 1.613 . . . . 0.0 109.551 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 p -135.8 156.18 49.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.243 0.545 . . . . 0.0 112.082 -172.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.47 -15.63 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.541 0.736 . . . . 0.0 111.572 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 -17.78 64.94 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.023 166.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -95.52 3.07 54.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.096 0.862 . . . . 0.0 112.434 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 CA-C-N 119.09 0.859 . . . . 0.0 111.945 -164.91 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 121.909 0.861 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -57.1 137.17 56.16 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 154.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -84.04 162.61 20.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.138 0.975 . . . . 0.0 109.657 175.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HB2' HD22 ' A' ' 27' ' ' ASN . 3.0 tm? -42.44 115.44 0.7 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 127.598 2.359 . . . . 0.0 109.919 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.82 158.38 42.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 126.591 1.956 . . . . 0.0 108.309 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -143.16 101.31 3.79 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 108.136 -170.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -98.12 83.76 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.47 0.481 . . . . 0.0 111.291 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.81 141.06 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.342 0.657 . . . . 0.0 109.532 -168.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.21 132.4 15.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 126.591 1.956 . . . . 0.0 108.382 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -133.73 90.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.627 0.771 . . . . 0.0 110.069 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -133.74 -43.51 0.82 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 110.842 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 60.69 2.31 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.359 1.076 . . . . 0.0 109.435 -171.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.3 OUTLIER 50.22 -16.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 1 C-N-CA 132.21 4.204 . . . . 0.0 117.924 -168.553 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 48.4 mttp -96.36 170.14 9.44 Favored 'General case' 0 CA--C 1.496 -1.111 0 C-N-CA 127.153 2.181 . . . . 0.0 109.785 -178.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.49 132.0 45.11 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.459 -2.155 . . . . 0.0 105.586 153.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -129.3 129.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 102.759 -3.052 . . . . 0.0 102.759 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG13 HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -141.82 110.32 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -170.305 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -73.53 102.93 3.98 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.72 130.51 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 162.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.42 124.83 23.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.35 -162.99 32.72 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-O 121.989 0.771 . . . . 0.0 112.008 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.17 106.93 9.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 102.741 -3.059 . . . . 0.0 102.741 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.91 96.06 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.86 -170.1 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 124.386 1.074 . . . . 0.0 108.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.09 -7.9 0.92 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.619 1.568 . . . . 0.0 114.286 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -79.2 -4.29 49.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.647 1.179 . . . . 0.0 112.872 168.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.628 HD22 ' HB2' ' A' ' 4' ' ' LEU . 3.2 m120 -146.53 -48.22 0.19 Allowed 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.637 -156.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 p -58.42 -7.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 112.76 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 t -77.34 -44.42 29.54 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.533 1.933 . . . . 0.0 110.452 168.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -111.95 -48.19 3.07 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.628 2.771 . . . . 0.0 111.137 -162.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tp -40.52 -43.4 1.84 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 120.218 1.372 . . . . 0.0 108.969 159.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -64.16 -52.8 57.28 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.594 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.24 -21.25 59.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.559 0.618 . . . . 0.0 111.005 -172.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -84.17 -35.53 23.5 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.7 mm? -62.59 -48.22 80.39 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.465 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -54.37 -47.98 72.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.33 0.968 . . . . 0.0 109.229 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -56.99 -56.73 17.96 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.19 0.596 . . . . 0.0 111.028 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.36 -52.11 23.24 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 126.733 2.013 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.5 -34.16 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -78.63 -16.18 57.65 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -112.77 -18.98 12.17 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.924 1.693 . . . . 0.0 113.452 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -66.34 -16.56 64.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -164.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 t 65.19 -28.92 0.11 Allowed 'General case' 0 CA--C 1.552 1.027 0 O-C-N 119.419 -2.05 . . . . 0.0 114.239 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -79.6 138.14 37.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.53 -1.981 . . . . 0.0 108.134 -175.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -77.72 4.61 11.18 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.769 -1.207 . . . . 0.0 113.011 172.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.92 114.86 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -166.778 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.71 111.39 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.18 113.62 34.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 169.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 17' ' ' VAL . 6.9 tp -95.17 92.18 6.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.088 0.955 . . . . 0.0 109.719 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.57 119.73 28.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 126.322 1.849 . . . . 0.0 111.206 -168.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.462 ' HB3' HG12 ' A' ' 54' ' ' VAL . 9.3 mt -114.72 19.16 16.19 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.701 -1.249 . . . . 0.0 113.358 -165.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -58.12 -25.37 61.31 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.597 1.159 . . . . 0.0 113.25 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 -42.1 19.65 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 120.369 -1.457 . . . . 0.0 112.596 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG12 ' HB3' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.16 127.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -160.776 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -123.03 -3.07 8.6 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -166.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -136.95 147.41 46.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.1 ttm -162.04 102.44 1.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.611 1.964 . . . . 0.0 109.251 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.65 -179.47 6.9 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.985 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.71 -25.4 67.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 112.05 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.21 68.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 126.654 2.073 . . . . 0.0 110.776 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 91' ' ' ILE . 20.4 tp -57.45 -54.21 49.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.943 0.897 . . . . 0.0 109.543 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -29.83 75.47 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.147 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.3 m -55.41 -51.65 66.17 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 118.224 1.012 . . . . 0.0 109.343 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.32 -32.45 71.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.475 1.489 . . . . 0.0 111.149 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.77 -35.05 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 121.983 -0.448 . . . . 0.0 110.15 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.05 -53.11 53.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.353 1.061 . . . . 0.0 108.693 167.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -57.9 -39.53 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -171.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.06 -52.8 63.85 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.8 -0.562 . . . . 0.0 111.402 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.12 -42.2 60.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.58 -40.99 98.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.654 0.781 . . . . 0.0 112.128 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.85 -55.68 27.75 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.556 1.142 . . . . 0.0 110.223 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -65.1 -39.85 93.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.087 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.21 -55.97 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 108.869 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 77' ' ' LYS . 12.2 m-80 -70.76 -10.43 59.48 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.9 55.74 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.958 1.742 . . . . 0.0 113.177 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -112.81 174.72 5.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.996 1.898 . . . . 0.0 111.331 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -104.21 144.98 30.87 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.477 1.111 . . . . 0.0 108.589 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -132.83 111.04 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.487 2.315 . . . . 0.0 107.248 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.9 mt -123.01 160.26 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 126.84 2.056 . . . . 0.0 109.126 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -120.29 164.53 16.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.619 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.84 158.81 44.22 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.05 0.94 . . . . 0.0 110.255 -171.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.6 m 60.62 47.91 7.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.242 1.817 . . . . 0.0 113.16 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -59.17 108.53 0.7 Allowed 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 130.301 3.44 . . . . 0.0 108.646 173.326 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -67.29 149.41 50.41 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 161.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.35 -48.26 62.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.629 0.649 . . . . 0.0 111.371 -167.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -53.02 -66.57 0.36 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.009 1.724 . . . . 0.0 110.791 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.52 -52.4 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.774 1.63 . . . . 0.0 108.744 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -44.57 -51.11 9.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.567 1.147 . . . . 0.0 108.614 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -50.27 64.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.504 1.922 . . . . 0.0 112.489 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.522 HG22 HD13 ' A' ' 62' ' ' LEU . 7.9 mt -60.35 -36.64 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.123 1.769 . . . . 0.0 110.094 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.83 -40.17 87.91 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.311 -1.493 . . . . 0.0 108.875 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -67.8 -25.09 65.42 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.22 -69.08 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 121.41 1.914 . . . . 0.0 110.655 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -81.47 15.52 2.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 122.834 0.454 . . . . 0.0 110.186 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.4 m80 50.76 39.45 22.05 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.053 1.741 . . . . 0.0 109.991 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 85.9 mt -74.13 -18.06 60.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.659 -0.651 . . . . 0.0 110.203 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.71 -10.93 6.05 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.1 -0.953 . . . . 0.0 113.492 170.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.13 -12.71 17.87 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.302 1.41 . . . . 0.0 113.485 166.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.85 -20.03 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 125.655 1.582 . . . . 0.0 110.467 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 3.6 m-85 -127.8 8.29 6.28 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.143 1.777 . . . . 0.0 112.354 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 14.1 tttp 49.16 -161.14 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -160.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.477 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -163.68 164.86 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 126.146 1.778 . . . . 0.0 108.303 152.167 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.8 p -138.9 153.53 48.28 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -51.66 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 p -142.75 177.0 8.62 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.004 0.521 . . . . 0.0 111.668 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.72 -18.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.691 0.797 . . . . 0.0 111.974 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.7 -19.06 47.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.038 0.935 . . . . 0.0 111.948 169.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 8.11 9.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.965 -0.459 . . . . 0.0 111.985 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.464 159.232 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -144.45 164.39 31.0 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 125.663 1.585 . . . . 0.0 109.661 -168.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -146.17 21.99 1.37 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.068 2.547 . . . . 0.0 109.684 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.12 120.08 12.55 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 124.677 1.191 . . . . 0.0 110.2 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -124.62 163.74 21.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.282 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -142.91 100.87 3.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 126.336 1.855 . . . . 0.0 107.827 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.83 73.7 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.63 -172.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -79.43 122.29 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.662 1.185 . . . . 0.0 108.68 -174.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.2 t -132.99 142.65 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.304 1.842 . . . . 0.0 108.341 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -133.31 33.1 3.61 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.739 0.815 . . . . 0.0 111.842 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.87 18.34 5.78 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 120.381 1.446 . . . . 0.0 113.519 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -136.97 29.44 2.82 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.2 -0.937 . . . . 0.0 111.481 -168.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.05 8.03 0.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.318 2.247 . . . . 0.0 114.342 -172.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD3' HG21 ' A' ' 48' ' ' VAL . 31.6 ttmt -137.78 158.87 43.47 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 130.388 3.475 . . . . 0.0 105.3 -175.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.75 112.14 23.8 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 127.047 2.139 . . . . 0.0 107.166 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.69 133.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -166.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -138.19 110.02 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -169.386 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -75.07 101.48 4.54 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.87 130.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.716 1.607 . . . . 0.0 109.264 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -145.88 60.5 1.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.758 1.223 . . . . 0.0 109.352 -162.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.37 123.77 0.81 Allowed Glycine 0 N--CA 1.471 1.025 0 C-N-CA 120.225 -0.988 . . . . 0.0 115.382 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.25 105.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 131.78 4.032 . . . . 0.0 113.153 -167.379 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mt -80.74 92.03 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 C-N-CA 124.572 1.149 . . . . 0.0 108.938 -162.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -129.77 -172.61 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.689 1.996 . . . . 0.0 106.444 168.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 -1.41 0.35 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.064 -1.647 . . . . 0.0 114.696 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -92.74 -1.06 57.13 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.667 1.587 . . . . 0.0 112.518 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -154.59 -33.11 0.1 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -53.67 -39.93 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.183 1.811 . . . . 0.0 108.552 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 m -63.24 -21.95 66.56 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.212 1.805 . . . . 0.0 114.831 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.4 -43.88 2.91 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.346 1.858 . . . . 0.0 109.029 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -39.18 2.37 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 120.264 -1.522 . . . . 0.0 109.136 163.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -66.23 -48.59 70.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 118.869 0.758 . . . . 0.0 112.82 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.26 -30.8 69.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.454 0.57 . . . . 0.0 110.442 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -83.18 -35.96 25.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.241 1.017 . . . . 0.0 108.556 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -67.25 -34.06 76.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.358 -0.839 . . . . 0.0 112.746 169.282 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -64.38 -47.35 79.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.138 1.335 . . . . 0.0 109.376 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -52.66 40.66 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.776 0.831 . . . . 0.0 109.702 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.7 t80 -48.99 -58.39 4.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.953 2.101 . . . . 0.0 109.424 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.418 HG21 ' HB3' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -58.68 -30.96 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 113.067 -176.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -80.39 -43.48 20.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.239 0.927 . . . . 0.0 110.765 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -83.26 -28.53 29.1 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.736 0.698 . . . . 0.0 109.898 -166.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -65.37 138.68 58.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -98.75 -12.19 21.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 111.448 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.39 147.73 30.9 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.337 -1.477 . . . . 0.0 107.839 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -91.85 12.59 21.04 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.65 104.61 8.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.936 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.89 136.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.481 HG21 ' HD3' ' A' ' 14' ' ' LYS . 57.8 t -131.24 100.46 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 127.272 2.229 . . . . 0.0 105.987 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 17' ' ' VAL . 8.9 tp -79.93 109.91 14.8 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -89.1 123.15 33.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -115.31 35.32 4.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.735 1.152 . . . . 0.0 111.572 175.489 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 t -60.74 -34.29 74.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.247 -0.908 . . . . 0.0 110.601 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m -98.21 -13.51 20.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 8.8 p -74.96 -170.96 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.383 0.992 . . . . 0.0 109.658 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.9 m -159.28 -41.81 0.06 Allowed 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.846 -1.159 . . . . 0.0 111.505 162.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -91.12 138.7 31.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.515 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 ttm -150.99 104.37 3.14 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 108.098 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 59' ' ' SEP . 24.0 t0 -85.95 -178.22 6.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 171.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SEP . . . . . 0.445 ' H ' ' CG ' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.47 -44.91 76.91 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.312 0.645 . . . . 0.0 110.448 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.86 82.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 124.865 1.221 . . . . 0.0 113.507 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.0 tp -66.72 -53.12 36.74 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 124.301 1.04 . . . . 0.0 109.217 -175.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.74 73.45 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-O 117.452 -1.749 . . . . 0.0 112.109 173.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.6 m -56.17 -48.57 76.07 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.126 1.963 . . . . 0.0 109.757 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.2 -39.26 85.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.714 1.597 . . . . 0.0 111.254 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 t -64.11 -34.82 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.802 0.441 . . . . 0.0 110.113 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.79 -54.65 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.129 -0.982 . . . . 0.0 108.736 170.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.638 HG21 HD12 ' A' ' 35' ' ' LEU . 3.7 mm -57.73 -42.5 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 119.453 1.024 . . . . 0.0 109.607 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.8 -43.13 65.68 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.247 1.019 . . . . 0.0 111.518 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -55.65 -30.52 61.14 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 124.282 1.033 . . . . 0.0 111.069 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -88.32 -36.51 16.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.047 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.82 -54.99 7.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.298 1.408 . . . . 0.0 111.552 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -67.05 -37.91 84.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.75 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.08 -60.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 124.797 1.239 . . . . 0.0 108.452 168.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -71.39 0.29 8.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.896 0.878 . . . . 0.0 112.966 -173.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 26.66 32.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 127.254 2.359 . . . . 0.0 112.848 165.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -130.14 157.36 42.64 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.909 1.338 . . . . 0.0 113.22 -161.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -88.75 151.15 22.59 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.982 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -145.79 93.36 2.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.884 -159.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.0 mt -125.24 155.17 34.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 124.226 1.011 . . . . 0.0 110.345 -169.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.36 170.21 9.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 119.271 0.941 . . . . 0.0 109.374 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 161.91 27.49 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.862 0.865 . . . . 0.0 110.77 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.6 m 56.9 53.37 8.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.422 1.889 . . . . 0.0 113.341 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.46 117.03 10.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 130.272 3.429 . . . . 0.0 110.113 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -78.7 166.27 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.031 170.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -48.37 -56.67 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.136 1.335 . . . . 0.0 111.023 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 t -56.47 -65.52 0.59 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.55 0.74 . . . . 0.0 110.079 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.68 -55.73 14.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -171.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -43.86 -53.94 5.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.696 1.198 . . . . 0.0 108.906 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.97 -48.14 82.91 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.431 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 77.6 mt -56.63 -38.93 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.527 1.931 . . . . 0.0 110.27 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HG ' HD11 ' A' ' 103' ' ' ILE . 4.1 mm? -64.38 -41.36 96.73 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 120.334 -1.479 . . . . 0.0 108.946 175.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.34 -30.48 71.2 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 171.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 15.5 mt -53.78 -60.56 3.15 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 120.098 1.317 . . . . 0.0 111.691 -174.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -90.48 22.55 3.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.89 0.768 . . . . 0.0 110.385 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.77 35.0 2.82 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 126.37 1.868 . . . . 0.0 113.607 -175.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 100' ' ' ILE . 66.2 mt -62.72 -23.95 67.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.47 1.108 . . . . 0.0 110.345 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -58.26 -18.61 27.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.253 2.221 . . . . 0.0 115.31 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -101.67 -21.92 14.56 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.148 1.34 . . . . 0.0 111.593 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.548 HD12 HD23 ' A' ' 97' ' ' LEU . 49.6 mt -75.66 -44.84 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.4 m-85 -115.04 14.85 17.2 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 126.656 1.983 . . . . 0.0 111.925 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' HE2' HG22 ' A' ' 104' ' ' THR . 4.1 tttt 50.97 -162.03 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.285 0.634 . . . . 0.0 110.042 -171.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.446 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -165.16 161.17 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.951 1.7 . . . . 0.0 108.922 155.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.488 HG22 ' HE2' ' A' ' 102' ' ' LYS . 16.2 p -139.55 131.39 27.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -30.74 71.75 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.417 -1.313 . . . . 0.0 111.633 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.0 p -142.07 174.92 10.16 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 110.448 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -60.01 -31.95 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.64 0.776 . . . . 0.0 110.338 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.57 -22.42 65.39 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.419 0.554 . . . . 0.0 111.417 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -88.18 6.23 37.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.888 0.767 . . . . 0.0 111.806 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.87 -1.538 . . . . 0.0 113.789 -174.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 C--O 1.234 0.243 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -134.58 170.47 15.74 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.189 1.396 . . . . 0.0 110.625 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -141.71 130.63 23.08 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.222 1.809 . . . . 0.0 107.318 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 20.5 t0 -113.41 66.43 0.66 Allowed 'General case' 0 CA--C 1.538 0.491 0 O-C-N 124.045 0.841 . . . . 0.0 110.73 -173.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -70.95 140.61 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 120.521 -1.362 . . . . 0.0 109.237 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.0 t -145.75 143.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 126.896 2.078 . . . . 0.0 106.862 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -131.45 -6.88 3.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.11 1.364 . . . . 0.0 113.293 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.16 1.46 11.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -157.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -126.94 24.13 6.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.698 2.399 . . . . 0.0 110.225 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 44' ' ' LYS 0.374 7.0 m-20 78.17 18.93 1.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.444 2.297 . . . . 0.0 115.327 173.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.69 126.2 17.78 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 125.044 1.338 . . . . 0.0 107.884 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.16 80.87 5.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.472 1.109 . . . . 0.0 108.691 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.45 132.74 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG13 HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -136.92 104.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 10.1 mtp180 -77.21 104.25 7.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.8 136.31 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -122.54 95.58 4.69 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 125.674 1.59 . . . . 0.0 107.299 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.5 164.05 11.87 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.1 173.45 7.83 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.633 1.173 . . . . 0.0 109.08 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.514 HD12 HG11 ' A' ' 54' ' ' VAL . 97.9 mt -135.9 96.22 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.402 -0.811 . . . . 0.0 109.553 -166.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -119.19 -166.83 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.797 1.639 . . . . 0.0 107.823 160.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 -9.84 4.5 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -84.62 -16.31 42.46 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 120.837 1.653 . . . . 0.0 111.315 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -133.07 -40.26 0.93 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.386 -166.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 p -53.43 -36.23 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.005 1.275 . . . . 0.0 109.759 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -33.74 19.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.755 2.022 . . . . 0.0 111.714 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.48 -52.69 2.77 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.694 1.598 . . . . 0.0 108.812 -164.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.446 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -42.82 -37.36 1.77 Allowed 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 125.223 1.409 . . . . 0.0 110.831 165.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.53 -57.59 8.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.042 1.292 . . . . 0.0 112.618 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.17 -21.16 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.32 -0.238 . . . . 0.0 111.314 -167.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -86.39 -37.23 18.59 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.935 1.294 . . . . 0.0 108.085 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 19.5 mt -68.18 -37.06 80.55 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.106 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -64.1 -32.47 74.05 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 120.935 -1.103 . . . . 0.0 111.65 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -54.05 44.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.902 0.774 . . . . 0.0 109.807 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.9 t80 -49.24 -47.97 46.05 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 127.211 2.204 . . . . 0.0 111.176 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.07 -35.41 47.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.623 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -80.46 -44.09 19.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.59 1.156 . . . . 0.0 110.381 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -69.1 -36.69 77.82 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.169 0.895 . . . . 0.0 110.427 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 t -74.77 127.06 32.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.938 -0.476 . . . . 0.0 109.945 -169.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -88.98 -13.3 39.23 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 111.704 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 13.0 mmmt -79.37 132.0 36.28 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -18.57 64.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.563 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 104.17 14.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 119.146 0.885 . . . . 0.0 108.987 -171.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.37 133.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 127.561 2.345 . . . . 0.0 107.459 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -130.39 96.26 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 HG13 ' A' ' 17' ' ' VAL . 12.6 tp -81.53 90.76 6.27 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.292 -175.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 82' ' ' SER . 12.1 m-20 -79.17 106.17 11.02 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -172.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.84 21.85 1.81 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.931 -1.106 . . . . 0.0 113.578 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -59.44 -5.87 0.91 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 -10.64 9.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.055 1.742 . . . . 0.0 112.194 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 23' ' ' ILE . 3.5 t -82.23 149.03 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.61 -46.56 0.32 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.754 0.822 . . . . 0.0 109.694 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -96.31 137.73 34.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.0 ttp -146.18 112.0 5.64 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.274 1.429 . . . . 0.0 109.634 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--N 1.326 -0.453 0 C-N-CA 125.383 1.473 . . . . 0.0 111.23 179.669 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.35 -38.6 45.19 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 123.556 0.598 . . . . 0.0 111.697 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.71 -55.57 31.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.43 -33.29 65.82 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-O 119.092 -0.838 . . . . 0.0 111.402 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.446 HG21 HD23 ' A' ' 31' ' ' LEU . 98.3 m -57.71 -49.01 77.97 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.619 1.209 . . . . 0.0 110.445 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.75 -35.92 75.57 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 121.229 1.831 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.42 -36.39 77.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.756 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.0 t -58.35 -53.94 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 124.192 0.997 . . . . 0.0 109.336 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.75 -40.82 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.507 1.123 . . . . 0.0 109.45 -172.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.48 -53.71 54.29 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.524 0.678 . . . . 0.0 110.501 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.05 -34.89 70.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.396 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -33.81 71.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.245 0.475 . . . . 0.0 111.221 173.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.46 79.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.289 1.035 . . . . 0.0 110.94 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.05 -36.63 77.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.999 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.13 -53.69 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.268 0.94 . . . . 0.0 108.817 164.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.38 0.33 14.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.52 40.75 99.08 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 125.493 1.52 . . . . 0.0 111.717 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -128.35 171.52 11.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.316 1.058 . . . . 0.0 112.246 -174.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -81.66 164.46 21.8 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -145.17 120.85 10.49 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.0 mt -133.71 151.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.59 166.15 15.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' A' ' 50' ' ' ASP . 28.4 t -147.82 161.31 41.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.286 1.434 . . . . 0.0 110.107 -169.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m 69.95 42.1 1.06 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.995 1.318 . . . . 0.0 114.379 160.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.604 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.88 107.96 2.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 130.451 3.5 . . . . 0.0 113.052 -176.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -65.68 162.58 18.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.29 1.436 . . . . 0.0 110.093 169.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.4 -46.7 66.41 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.915 1.689 . . . . 0.0 111.062 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -77.05 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.773 1.629 . . . . 0.0 109.295 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.5 mm -46.7 -49.82 6.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 126.944 2.098 . . . . 0.0 109.663 -172.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -52.99 -55.08 26.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.988 1.315 . . . . 0.0 109.185 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -46.02 63.52 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.776 -0.578 . . . . 0.0 109.934 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.669 ' C ' HD12 ' A' ' 94' ' ' LEU . 8.5 mt -77.37 15.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 126.649 1.98 . . . . 0.0 110.598 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 103' ' ' ILE . 4.8 mt -114.28 -40.36 3.68 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 119.58 -1.95 . . . . 0.0 107.179 168.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.21 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.317 -0.864 . . . . 0.0 112.018 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.669 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -59.41 -24.04 63.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.374 2.269 . . . . 0.0 113.876 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.503 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -128.39 25.36 5.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.806 0.842 . . . . 0.0 111.99 171.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 58.81 20.95 8.47 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.093 -1.005 . . . . 0.0 112.196 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.534 HD23 HD12 ' A' ' 100' ' ' ILE . 85.7 mt -65.27 -22.78 66.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 120.988 -1.07 . . . . 0.0 109.509 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.07 -17.22 62.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.734 1.214 . . . . 0.0 113.166 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -94.88 -13.42 25.49 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.905 1.229 . . . . 0.0 112.96 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.534 HD12 HD23 ' A' ' 97' ' ' LEU . 40.9 mt -90.49 -42.09 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.466 1.106 . . . . 0.0 108.933 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.2 m-85 -115.78 19.99 14.85 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 126.131 1.772 . . . . 0.0 110.413 -177.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HB3' HG23 ' A' ' 80' ' ' ILE . 4.1 ttpp 47.16 -161.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.717 0.689 . . . . 0.0 109.958 -163.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.649 HD11 HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -163.55 163.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 125.41 1.484 . . . . 0.0 108.245 150.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.456 HG21 ' HA ' ' A' ' 110' ' ' ALA . 60.9 p -136.21 145.2 45.43 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -53.15 24.09 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.5 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -138.27 -179.3 5.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.636 0.774 . . . . 0.0 111.726 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.1 p -61.02 -21.08 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.087 0.555 . . . . 0.0 111.337 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.53 -12.79 61.55 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.158 -0.964 . . . . 0.0 112.217 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -101.17 -10.92 19.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.863 1.211 . . . . 0.0 112.507 168.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.456 ' HA ' HG21 ' A' ' 104' ' ' THR . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.149 -1.882 . . . . 0.0 114.158 -160.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 CA--C 1.535 0.4 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -140.4 171.62 13.89 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.834 2.054 . . . . 0.0 109.762 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -147.68 125.75 12.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.647 1.979 . . . . 0.0 106.949 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.25 88.26 2.77 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 109.894 177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.76 118.25 25.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 125.426 1.49 . . . . 0.0 108.281 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.76 143.94 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.144 1.777 . . . . 0.0 108.25 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.72 -118.27 0.25 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 54.39 -176.48 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.625 1.97 . . . . 0.0 110.855 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 33.95 -99.24 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.625 1.97 . . . . 0.0 110.358 -153.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 3.3 p30 -146.16 -1.89 0.72 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 164.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD3' HG21 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -81.25 160.06 24.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 122.102 2.228 . . . . 0.0 108.62 173.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.18 123.34 49.36 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 127.352 2.261 . . . . 0.0 106.75 160.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.1 mt -126.36 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -128.55 112.32 26.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -78.22 97.19 5.44 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 123.612 0.765 . . . . 0.0 109.231 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.18 142.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 166.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.76 106.69 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.82 -177.89 20.17 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -172.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -115.74 176.11 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.818 2.047 . . . . 0.0 107.681 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -137.3 104.83 3.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 O-C-N 120.866 -1.146 . . . . 0.0 109.707 -166.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -137.7 -165.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 127.89 2.476 . . . . 0.0 107.822 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -12.23 52.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 119.841 -1.787 . . . . 0.0 115.339 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.22 -36.08 47.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 120.401 1.455 . . . . 0.0 109.849 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -112.82 -40.64 3.96 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.844 -159.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -55.94 -39.09 71.19 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 119.936 1.244 . . . . 0.0 109.46 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -37.98 -46.09 0.95 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.23 2.612 . . . . 0.0 113.167 163.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.53 -43.53 6.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 121.345 1.884 . . . . 0.0 112.27 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.04 -26.53 27.06 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 120.642 -1.286 . . . . 0.0 111.294 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -66.93 -65.59 0.66 Allowed 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 119.164 0.893 . . . . 0.0 110.656 168.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.58 -20.78 66.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.774 0.715 . . . . 0.0 111.793 -164.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.77 -38.19 18.48 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.727 0.811 . . . . 0.0 109.516 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.492 HD12 HG21 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -62.25 -43.62 98.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.071 0.85 . . . . 0.0 111.653 168.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -35.61 71.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.392 1.477 . . . . 0.0 109.026 175.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.67 -60.57 2.44 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.154 0.582 . . . . 0.0 110.829 169.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.1 t80 -47.52 -44.72 25.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 128.3 2.64 . . . . 0.0 112.04 -172.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -72.47 -22.3 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.452 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -72.46 -32.2 66.06 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.023 162.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 -20.62 26.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.808 1.64 . . . . 0.0 113.209 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.495 HG23 ' HE2' ' A' ' 77' ' ' LYS . 12.0 t -88.19 109.49 19.95 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.643 1.11 . . . . 0.0 113.336 -165.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -68.87 -2.56 9.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.745 1.618 . . . . 0.0 114.771 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 8.2 mmmm -93.45 128.23 39.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -75.97 -6.51 51.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.317 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 119.96 39.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.053 2.141 . . . . 0.0 106.965 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.75 128.21 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG21 ' HD3' ' A' ' 14' ' ' LYS . 85.1 t -127.48 97.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 125.853 1.661 . . . . 0.0 106.8 -174.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 17' ' ' VAL . 11.6 tp -79.83 101.93 8.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.326 -176.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -81.94 118.79 23.24 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.717 0.69 . . . . 0.0 110.882 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.2 mt -105.88 16.09 25.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.252 2.221 . . . . 0.0 112.279 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 8.5 t -58.82 -19.33 40.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.071 1.748 . . . . 0.0 114.053 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -92.48 -41.8 10.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.466 1.507 . . . . 0.0 110.142 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.3 t -64.35 115.42 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.314 1.046 . . . . 0.0 109.802 -162.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -95.86 -14.38 23.24 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.316 1.046 . . . . 0.0 112.307 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -154.12 140.32 18.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.918 0.781 . . . . 0.0 110.772 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.9 ttm -138.61 119.2 13.94 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.842 1.657 . . . . 0.0 109.115 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 C--O 1.235 0.34 0 CA-C-O 121.277 0.561 . . . . 0.0 111.061 175.722 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.485 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.4 93.51 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 125.159 1.361 . . . . 0.0 111.666 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.455 HD21 HG22 ' A' ' 91' ' ' ILE . 6.1 mt -59.56 -51.63 69.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.787 0.835 . . . . 0.0 109.407 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.46 72.3 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.701 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.8 m -59.4 -46.91 87.38 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.321 1.061 . . . . 0.0 109.011 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.46 -33.4 69.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.696 1.589 . . . . 0.0 111.931 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.74 -33.92 62.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.162 -0.961 . . . . 0.0 110.542 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.05 -53.58 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 108.621 170.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.492 HG21 HD12 ' A' ' 35' ' ' LEU . 1.5 mm -51.77 -40.87 28.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.461 1.504 . . . . 0.0 109.414 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.405 HD21 ' HE3' ' A' ' 73' ' ' LYS . 2.8 tm? -62.28 -54.38 41.49 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.302 -0.874 . . . . 0.0 112.358 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -40.34 19.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.125 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -44.67 91.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.936 0.894 . . . . 0.0 112.003 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.83 60.42 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 125.225 1.41 . . . . 0.0 110.615 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HE3' HD21 ' A' ' 69' ' ' LEU . 5.7 mmtp -70.87 -33.78 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.507 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mt -53.67 -61.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.053 0.941 . . . . 0.0 108.658 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -72.37 -6.49 43.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.211 1.004 . . . . 0.0 112.528 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.45 58.73 7.47 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 127.117 2.294 . . . . 0.0 113.432 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' HE2' HG23 ' A' ' 42' ' ' THR . 0.7 OUTLIER -146.17 171.03 15.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 119.094 1.447 . . . . 0.0 113.184 177.291 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -101.78 97.55 7.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.623 1.569 . . . . 0.0 108.707 -169.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -85.65 120.19 26.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.22 0.608 . . . . 0.0 109.8 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 19.4 mt -130.46 160.29 41.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.471 1.909 . . . . 0.0 108.214 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -120.27 169.98 9.77 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.571 -0.706 . . . . 0.0 110.325 177.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 104' ' ' THR . 40.6 t -156.09 162.39 40.27 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.941 0.496 . . . . 0.0 111.86 -167.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 m 60.53 43.9 12.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.043 1.737 . . . . 0.0 114.738 167.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -60.88 102.21 0.18 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 128.591 2.756 . . . . 0.0 111.78 -174.174 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 52' ' ' SER . 14.8 mttm -67.12 164.39 18.1 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.128 168.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -29.85 69.87 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -165.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -70.73 -68.91 0.4 Allowed 'General case' 0 C--N 1.341 0.226 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.49 -58.74 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 125.912 1.685 . . . . 0.0 108.434 -169.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 t -31.34 -68.59 0.08 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.542 1.537 . . . . 0.0 111.044 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -40.87 65.11 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.683 1.593 . . . . 0.0 111.578 -176.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.455 HG22 HD21 ' A' ' 62' ' ' LEU . 78.3 mt -67.13 -36.92 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 126.529 1.932 . . . . 0.0 109.278 -174.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -63.25 -43.86 96.81 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 120.941 -1.1 . . . . 0.0 108.846 173.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -19.52 64.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.6 -62.05 2.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.378 1.899 . . . . 0.0 109.456 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 7.02 3.56 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.685 1.594 . . . . 0.0 112.542 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.0 m80 49.87 35.13 8.78 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.814 1.645 . . . . 0.0 112.909 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 100' ' ' ILE . 95.1 mt -74.56 -19.43 60.34 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.46 -8.56 14.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 127.696 2.398 . . . . 0.0 114.595 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -107.53 -10.01 15.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.653 1.181 . . . . 0.0 112.831 169.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.429 HD12 HD23 ' A' ' 97' ' ' LEU . 83.3 mt -95.1 -59.5 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -90.16 18.68 5.68 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.245 1.018 . . . . 0.0 111.258 175.298 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.505 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 8.7 ttpp 47.81 -155.98 0.06 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.323 -0.861 . . . . 0.0 109.849 -169.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.519 HG12 HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -171.48 156.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 126.394 1.878 . . . . 0.0 109.03 159.293 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.505 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 62.0 p -149.02 104.07 3.4 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.26 -25.49 67.87 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.073 -1.017 . . . . 0.0 111.8 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -133.84 153.73 51.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.984 1.714 . . . . 0.0 109.395 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.35 -27.14 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.585 -0.697 . . . . 0.0 111.28 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.58 -16.55 62.3 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.468 1.107 . . . . 0.0 111.36 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -81.96 -10.46 59.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.427 1.012 . . . . 0.0 112.072 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.161 1.384 . . . . 0.0 111.125 177.129 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.237 0.432 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -133.05 162.25 32.22 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.699 0.799 . . . . 0.0 110.789 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.432 HD22 HG11 ' A' ' 17' ' ' VAL . 61.7 mt -143.56 103.22 4.06 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.127 1.771 . . . . 0.0 107.903 -169.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 84.35 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.9 mt -78.73 126.45 38.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.28 126.1 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 109.827 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.98 31.04 1.6 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.926 2.091 . . . . 0.0 112.693 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -72.24 -4.88 32.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.471 1.509 . . . . 0.0 114.537 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 -83.12 0.6 Allowed 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.28 -2.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.058 0.943 . . . . 0.0 113.146 -160.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -147.41 125.43 12.07 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 120.046 1.294 . . . . 0.0 108.886 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.89 87.91 5.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.044 1.338 . . . . 0.0 109.326 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.08 152.8 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.609 ' HB ' HD12 ' A' ' 49' ' ' LEU . 3.9 t -133.01 114.45 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 166.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.7 mtp85 -85.27 97.44 9.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.24 132.99 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -121.28 16.9 11.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -157.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.85 167.87 40.8 Favored Glycine 0 C--N 1.316 -0.578 0 O-C-N 121.011 -1.056 . . . . 0.0 111.256 -172.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -74.0 176.55 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 -170.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.485 HD12 HG11 ' A' ' 54' ' ' VAL . 90.3 mt -134.45 60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.71 -179.42 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 119.765 -1.834 . . . . 0.0 108.751 166.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.93 -10.83 10.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 120.65 -1.282 . . . . 0.0 113.689 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.52 -20.01 44.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.865 0.866 . . . . 0.0 111.878 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -127.93 -44.02 1.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 124.515 1.126 . . . . 0.0 110.734 -163.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -50.25 -47.37 55.16 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 125.31 1.444 . . . . 0.0 109.436 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.73 -40.79 6.29 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.265 2.226 . . . . 0.0 113.615 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -93.95 -44.78 7.91 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 120.256 1.389 . . . . 0.0 110.97 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.61 HD23 HG21 ' A' ' 64' ' ' THR 0.253 0.4 OUTLIER -48.15 -34.78 10.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.585 1.154 . . . . 0.0 109.842 166.41 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HG3' HG23 ' A' ' 64' ' ' THR . 12.2 ttpt -68.12 -59.29 3.35 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.111 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.85 -0.86 6.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 120.047 1.294 . . . . 0.0 113.89 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -109.93 -40.78 4.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.15 1.78 . . . . 0.0 109.381 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.23 -31.64 71.27 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 120.396 -1.44 . . . . 0.0 111.376 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -67.0 -12.35 59.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.027 1.331 . . . . 0.0 111.477 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' HG22 ' A' ' 41' ' ' THR . 4.2 m-20 -93.56 -55.43 3.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.149 -0.969 . . . . 0.0 110.377 170.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CE2' HG21 ' A' ' 17' ' ' VAL . 2.8 t80 -35.87 -60.05 0.55 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 128.816 2.846 . . . . 0.0 110.9 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.84 -27.2 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -85.31 -4.83 59.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.943 2.097 . . . . 0.0 112.102 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 37' ' ' ASN . 5.1 t -144.94 43.12 1.33 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.637 1.562 . . . . 0.0 111.71 -169.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t -133.65 -13.58 2.57 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.073 -1.642 . . . . 0.0 114.637 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t 60.35 -22.61 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.167 2.187 . . . . 0.0 115.718 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -78.48 128.57 33.76 Favored 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 119.751 -1.843 . . . . 0.0 106.979 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.78 -17.02 64.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.419 168.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 117.53 31.17 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.63 1.104 . . . . 0.0 109.572 -174.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.0 134.54 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 129.173 2.989 . . . . 0.0 107.417 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -136.32 93.88 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.286 2.634 . . . . 0.0 108.226 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.609 HD12 ' HB ' ' A' ' 17' ' ' VAL . 9.2 tp -79.91 102.05 8.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.17 101.74 12.72 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.133 1.773 . . . . 0.0 109.04 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 18.02 5.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 3.3 t -60.1 -19.05 51.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.312 1.869 . . . . 0.0 115.424 -169.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -84.78 -40.36 17.31 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.694 1.133 . . . . 0.0 109.163 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.485 HG11 HD12 ' A' ' 23' ' ' ILE . 7.2 t -66.27 131.82 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 108.124 -166.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -51.02 2.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.112 1.765 . . . . 0.0 109.584 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -99.49 142.49 30.9 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.4 ttm -146.15 115.5 7.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.878 1.671 . . . . 0.0 107.61 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 0.0 112.065 176.797 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.8 -53.14 43.22 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.681 1.134 . . . . 0.0 113.676 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 97' ' ' LEU . 19.2 tp -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.242 1.021 . . . . 0.0 109.722 -169.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.83 -14.12 78.42 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-O 117.507 -1.719 . . . . 0.0 113.826 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.61 HG21 HD23 ' A' ' 31' ' ' LEU . 54.2 m -66.52 -45.23 80.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 120.135 1.968 . . . . 0.0 108.599 168.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.42 -29.56 69.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.887 1.676 . . . . 0.0 111.205 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -66.95 -39.91 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 124.298 1.039 . . . . 0.0 110.657 173.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.7 t -58.93 -47.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 120.568 -1.333 . . . . 0.0 109.944 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.64 -38.69 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.806 0.842 . . . . 0.0 109.354 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.38 -53.05 62.71 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.263 -0.398 . . . . 0.0 110.033 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -51.75 -41.65 61.73 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -35.84 80.02 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.84 66.01 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.467 0.707 . . . . 0.0 110.17 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -31.2 62.73 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 117.749 -1.119 . . . . 0.0 112.005 -175.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.2 mt -51.81 -57.6 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.098 1.359 . . . . 0.0 108.675 165.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.37 -9.6 58.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.341 0.656 . . . . 0.0 112.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.6 36.04 49.85 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.763 1.649 . . . . 0.0 115.013 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -123.47 -174.72 3.03 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 121.155 2.477 . . . . 0.0 113.51 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.86 163.89 12.61 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.406 1.483 . . . . 0.0 108.502 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -156.08 110.31 2.81 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.897 1.679 . . . . 0.0 108.026 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 102' ' ' LYS . 9.4 mt -128.13 149.28 32.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.012 -173.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 HG13 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -107.57 170.6 7.88 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -168.59 157.01 8.36 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -159.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 7.0 m 51.75 47.99 23.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.632 1.573 . . . . 0.0 113.404 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.606 HD21 HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -54.6 133.71 46.58 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.964 2.906 . . . . 0.0 110.086 177.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -87.81 159.19 18.52 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 116.94 -1.505 . . . . 0.0 109.429 162.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.47 -43.42 45.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.372 1.442 . . . . 0.0 111.694 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -68.48 0.36 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.645 1.178 . . . . 0.0 109.103 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.495 ' HA ' HD12 ' A' ' 91' ' ' ILE . 23.3 mm -47.69 -58.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 127.732 2.413 . . . . 0.0 109.336 -176.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -38.87 -60.32 0.86 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.654 1.581 . . . . 0.0 110.97 174.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 5.1 ttm180 -59.15 -50.65 73.23 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.854 -172.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 88' ' ' ILE . 13.6 mt -51.56 -34.41 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.117 1.767 . . . . 0.0 109.923 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.59 -45.31 65.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.015 -1.053 . . . . 0.0 109.252 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -66.71 -18.11 65.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.82 -63.9 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 120.851 1.66 . . . . 0.0 110.761 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -81.11 22.43 0.64 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.641 0.655 . . . . 0.0 111.052 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m170 38.78 42.27 0.6 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 127.017 2.127 . . . . 0.0 113.738 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 62' ' ' LEU . 84.2 mt -66.29 -24.4 66.55 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.787 0.835 . . . . 0.0 109.649 176.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.84 -14.03 57.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.469 1.908 . . . . 0.0 114.386 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -111.99 8.85 20.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.566 0.746 . . . . 0.0 111.987 171.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.457 HD12 HD23 ' A' ' 97' ' ' LEU . 31.2 mt -105.72 -67.73 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 172.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.65 11.79 3.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.272 2.229 . . . . 0.0 112.74 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.487 ' HB3' HG23 ' A' ' 80' ' ' ILE . 1.7 ttpp 51.76 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.131 0.973 . . . . 0.0 110.484 -170.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.606 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -165.95 156.24 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 123.935 0.894 . . . . 0.0 110.036 161.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 82.5 p -137.29 146.39 44.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -46.19 67.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 121.192 -0.943 . . . . 0.0 109.386 168.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 74.4 p -141.03 164.81 29.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.23 1.812 . . . . 0.0 109.354 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.45 HG22 ' H ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -44.13 -36.46 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 C-N-CA 127.43 2.292 . . . . 0.0 111.8 170.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.72 -27.64 68.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.661 0.6 . . . . 0.0 110.81 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -88.04 -0.63 57.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.975 0.51 . . . . 0.0 111.78 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.376 1.07 . . . . 0.0 111.5 -177.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.237 0.416 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.99 173.02 12.02 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.155 1.782 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.501 HD22 HG11 ' A' ' 17' ' ' VAL . 24.4 mt -142.43 141.44 32.21 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.242 2.217 . . . . 0.0 105.115 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.78 84.8 2.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.4 mt -76.67 131.24 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 126.857 2.063 . . . . 0.0 106.937 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -138.06 133.82 44.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 118.885 0.766 . . . . 0.0 109.535 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 96.8 mt-10 -128.27 100.3 5.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.91 0.884 . . . . 0.0 109.37 -176.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -131.51 -87.21 0.48 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.645 0.657 . . . . 0.0 111.034 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.28 83.48 0.37 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 163.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.5 OUTLIER 40.87 -5.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.245 1 C-N-CA 133.81 4.844 . . . . 0.0 119.161 171.398 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.615 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 4.7 mttp -88.07 168.27 12.95 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 130.03 3.332 . . . . 0.0 108.596 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . . . -117.55 87.87 2.8 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 128.822 2.849 . . . . 0.0 108.419 159.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.75 152.45 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG11 HD22 ' A' ' 6' ' ' LEU . 6.4 t -133.02 122.12 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 158.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -80.43 98.63 7.6 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 170.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.87 135.15 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -135.5 87.11 2.29 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.535 0.734 . . . . 0.0 110.353 -163.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.2 177.34 33.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.47 122.75 48.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.38 164.09 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -172.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 168.44 179.95 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 131.344 3.858 . . . . 0.0 105.836 168.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.96 4.09 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.549 1.522 . . . . 0.0 113.491 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -6.28 57.78 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.652 1.181 . . . . 0.0 113.161 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -137.17 -32.57 0.78 Allowed 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 126.081 1.752 . . . . 0.0 113.489 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 p -59.95 -33.39 71.85 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.198 1.817 . . . . 0.0 109.58 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -57.71 7.94 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 130.613 3.565 . . . . 0.0 110.265 169.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.11 -43.86 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.039 0.836 . . . . 0.0 111.503 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -53.54 -29.23 35.81 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 117.049 -1.453 . . . . 0.0 109.994 171.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HA ' HG23 ' A' ' 64' ' ' THR . 5.3 ttpt -63.81 -60.61 3.06 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.901 1.682 . . . . 0.0 111.882 170.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.401 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 10.3 pt-20 -73.66 -25.72 60.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.284 -163.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.63 -38.64 58.77 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -64.9 -40.68 95.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 172.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -62.04 -45.63 92.7 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.135 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.55 -47.86 82.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 118.837 0.744 . . . . 0.0 110.959 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -49.97 -45.11 51.17 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.497 ' HA ' HG22 ' A' ' 42' ' ' THR . 4.9 mm -64.68 -33.27 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 O-C-N 121.66 -0.65 . . . . 0.0 111.687 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -80.85 -10.31 59.73 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.83 173.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.7 p -88.91 -49.84 6.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.169 1.804 . . . . 0.0 108.726 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.2 t -62.22 103.3 0.37 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.372 1.469 . . . . 0.0 112.963 -160.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -71.05 14.37 0.15 Allowed 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 113.845 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 10' ' ' GLU . 5.3 mmmm -103.91 155.29 18.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.05 2.14 . . . . 0.0 108.552 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -89.09 3.99 49.94 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.683 -0.635 . . . . 0.0 112.409 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.42 123.34 13.51 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 119.902 1.228 . . . . 0.0 108.934 -169.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.0 143.02 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -126.07 93.62 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 165.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD21 HD11 ' A' ' 35' ' ' LEU . 7.7 tp -79.75 99.87 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -174.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 110.24 19.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.125 2.57 . . . . 0.0 110.758 -170.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.9 7.99 36.87 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -160.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 2.6 t -63.37 -16.12 59.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.129 1.332 . . . . 0.0 113.845 -167.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -80.59 -20.82 42.44 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.529 1.513 . . . . 0.0 111.56 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 t -99.89 122.68 52.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 126.18 1.792 . . . . 0.0 108.2 -164.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -113.07 -42.33 3.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 119.522 1.055 . . . . 0.0 111.384 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -100.61 140.59 34.67 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.092 0.86 . . . . 0.0 109.734 -173.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.8 ttm -154.43 128.9 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.023 1.729 . . . . 0.0 109.827 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 126.606 1.962 . . . . 0.0 109.852 -179.302 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.05 97.22 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.504 1.049 . . . . 0.0 112.303 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' A' ' 62' ' ' LEU . 8.8 mt -64.12 -59.77 4.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 117.892 0.846 . . . . 0.0 109.16 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.29 -17.16 59.04 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.788 -1.007 . . . . 0.0 114.174 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.477 HG21 HD23 ' A' ' 31' ' ' LEU . 7.9 m -57.61 -52.23 66.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 119.981 1.891 . . . . 0.0 108.894 165.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.62 -31.14 70.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 120.082 1.31 . . . . 0.0 111.449 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.85 -23.95 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.204 1.002 . . . . 0.0 110.857 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -68.07 -47.1 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.911 1.284 . . . . 0.0 109.408 162.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.568 HG21 HD12 ' A' ' 35' ' ' LEU . 3.4 mm -66.18 -33.68 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.72 -52.02 63.77 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.032 -1.043 . . . . 0.0 109.856 168.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.27 -44.82 61.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.265 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -67.14 -37.63 84.16 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.795 0.684 . . . . 0.0 110.646 -179.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.56 83.7 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.003 0.819 . . . . 0.0 111.157 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -74.08 -32.33 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 117.833 -1.08 . . . . 0.0 111.6 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.07 -59.83 2.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 34.3 m-80 -79.06 3.59 16.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.17 -173.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.55 60.4 5.45 Favored Glycine 0 C--N 1.319 -0.391 0 C-N-CA 127.508 2.48 . . . . 0.0 113.026 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -143.33 169.22 18.05 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.278 1.039 . . . . 0.0 113.133 -179.545 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.67 163.21 19.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.41 1.884 . . . . 0.0 108.877 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -148.97 126.02 11.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.06 1.744 . . . . 0.0 106.849 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.693 ' C ' HD13 ' A' ' 81' ' ' LEU . 46.6 mt -152.88 146.82 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 127.591 2.356 . . . . 0.0 105.123 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.693 HD13 ' C ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -119.71 167.11 12.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.412 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.77 166.75 25.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.021 1.329 . . . . 0.0 113.11 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 15.7 m 57.42 43.49 23.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.624 1.97 . . . . 0.0 112.798 158.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.54 HD21 HD11 ' A' ' 103' ' ' ILE . 14.1 mt -53.58 109.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 130.377 3.471 . . . . 0.0 111.414 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -69.33 96.93 0.91 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 157.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 23.97 -79.44 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.171 2.188 . . . . 0.0 115.42 155.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -41.26 -66.02 0.38 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.41 1.884 . . . . 0.0 112.378 171.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.3 -60.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 C-N-CA 127.018 2.127 . . . . 0.0 107.38 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.1 t -32.34 -56.86 0.33 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 120.204 1.366 . . . . 0.0 111.245 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 31.7 mtt-85 -62.2 -46.57 88.29 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.115 -1.615 . . . . 0.0 113.893 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.03 -35.57 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 119.606 1.094 . . . . 0.0 110.08 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.4 mm? -66.62 -48.69 68.69 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.754 -1.216 . . . . 0.0 109.255 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 4.6 mppt? -56.38 -33.06 65.37 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 117.184 -1.389 . . . . 0.0 114.51 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -52.86 -58.96 5.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.611 1.55 . . . . 0.0 110.274 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.2 m -82.86 13.11 4.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.677 1.191 . . . . 0.0 110.766 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.7 m80 51.52 21.39 1.25 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.94 1.696 . . . . 0.0 113.059 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.709 HD23 HD12 ' A' ' 100' ' ' ILE . 65.9 mt -64.98 -26.84 68.47 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.695 0.798 . . . . 0.0 110.891 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -17.96 1.59 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.25 1.82 . . . . 0.0 113.489 166.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -107.67 -14.86 14.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.581 1.552 . . . . 0.0 112.119 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.709 HD12 HD23 ' A' ' 97' ' ' LEU . 85.8 mt -90.89 -50.01 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 126.102 1.761 . . . . 0.0 106.877 -174.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 8.6 m-85 -95.5 5.11 52.4 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 127.948 2.499 . . . . 0.0 111.813 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.35 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.591 -0.693 . . . . 0.0 109.222 -154.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.54 HD11 HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -168.11 160.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 126.511 1.925 . . . . 0.0 106.218 158.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 p -132.11 141.9 49.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -31.14 70.08 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 120.39 -1.444 . . . . 0.0 109.505 169.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.1 p -143.12 156.26 44.76 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.231 1.012 . . . . 0.0 111.55 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.6 -21.27 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.593 0.757 . . . . 0.0 111.389 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.45 -16.57 63.95 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.195 1.398 . . . . 0.0 112.108 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.91 -4.56 46.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.468 1.031 . . . . 0.0 113.336 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.615 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.242 0.694 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.236 0.394 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.71 149.84 41.05 Favored 'General case' 0 N--CA 1.461 0.125 0 C-N-CA 123.384 0.674 . . . . 0.0 110.103 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -115.53 134.48 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.98 81.34 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.669 0.787 . . . . 0.0 109.409 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.2 mt -82.62 123.65 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.19 1.396 . . . . 0.0 109.129 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.51 147.91 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 127.605 2.362 . . . . 0.0 107.483 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -131.18 82.59 2.05 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -135.77 164.04 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 46.73 37.75 5.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.549 1.54 . . . . 0.0 111.609 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.2 16.4 10.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 128.967 2.907 . . . . 0.0 114.152 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -133.43 137.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.826 1.65 . . . . 0.0 107.715 -169.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.61 113.29 20.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mt -120.07 126.11 74.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.625 HG13 HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -132.72 109.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -169.591 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -77.23 101.58 6.29 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.0 t -72.83 112.98 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 125.252 1.421 . . . . 0.0 108.072 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -113.65 122.32 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.95 1.7 . . . . 0.0 107.01 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.86 177.16 14.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.03 1.3 . . . . 0.0 111.223 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.81 111.52 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.336 1.854 . . . . 0.0 109.581 -164.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -83.59 62.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.206 1.402 . . . . 0.0 110.041 -153.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -81.77 175.93 10.03 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.037 -1.664 . . . . 0.0 109.298 165.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -8.19 4.67 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.171 -1.581 . . . . 0.0 114.306 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -81.33 -4.62 56.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.714 1.143 . . . . 0.0 111.791 170.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -138.24 -44.94 0.51 Allowed 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.771 1.228 . . . . 0.0 111.265 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -47.77 -39.0 16.78 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.895 1.678 . . . . 0.0 111.292 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -54.16 45.88 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 128.446 2.698 . . . . 0.0 112.021 172.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.26 -43.89 12.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.408 -1.432 . . . . 0.0 112.265 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD23 HG21 ' A' ' 64' ' ' THR . 3.6 tt -47.42 -34.31 7.03 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.361 1.065 . . . . 0.0 110.061 165.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -68.96 -54.17 16.79 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 119.763 1.165 . . . . 0.0 110.73 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.64 -28.94 66.15 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.409 1.084 . . . . 0.0 111.032 -173.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -96.26 -36.86 10.76 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.858 1.263 . . . . 0.0 108.912 -169.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD13 HD21 ' A' ' 49' ' ' LEU . 18.0 mt -72.1 -34.84 68.95 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.582 173.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -57.99 8.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 166.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -40.54 95.8 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.912 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -51.51 -50.51 59.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.549 1.14 . . . . 0.0 110.551 175.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.07 -29.11 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.915 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -23.7 61.77 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.909 1.284 . . . . 0.0 112.736 174.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -92.39 -60.51 1.82 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 120.407 1.458 . . . . 0.0 108.098 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -58.32 122.92 14.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.66 0.743 . . . . 0.0 111.99 -153.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.6 p -65.46 -9.57 26.76 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.841 -1.162 . . . . 0.0 113.999 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -78.76 119.84 22.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -75.36 6.9 3.98 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.049 -0.407 . . . . 0.0 111.619 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.65 125.42 33.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.109 1.763 . . . . 0.0 106.561 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.17 137.74 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.91 99.85 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 126.84 2.056 . . . . 0.0 105.948 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD12 HG13 ' A' ' 17' ' ' VAL . 8.4 tp -84.13 83.75 7.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.203 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.77 104.78 2.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.666 0.787 . . . . 0.0 111.151 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.04 18.07 7.21 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.567 0.747 . . . . 0.0 112.45 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -62.31 -15.79 50.06 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.8 m -107.98 -11.44 15.32 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.519 1.054 . . . . 0.0 112.339 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.05 144.43 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 119.445 1.02 . . . . 0.0 108.26 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -141.92 -39.87 0.37 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.161 . . . . 0.0 111.253 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -104.75 149.38 25.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.032 0.933 . . . . 0.0 109.352 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.3 ttp -157.83 123.71 4.66 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.705 1.202 . . . . 0.0 110.847 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.535 0.378 0 C-N-CA 125.724 1.61 . . . . 0.0 110.069 173.642 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.53 -34.69 49.86 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.284 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 62' ' ' LEU . 10.6 tp -76.2 -17.66 59.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.251 1.02 . . . . 0.0 113.602 -173.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.71 -34.44 7.82 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 118.657 -1.08 . . . . 0.0 110.872 164.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.463 HG21 HD23 ' A' ' 31' ' ' LEU . 30.9 m -56.49 -52.36 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.526 1.663 . . . . 0.0 111.294 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.85 -28.02 67.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 122.612 2.46 . . . . 0.0 111.795 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.78 -35.06 63.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 121.533 -0.729 . . . . 0.0 110.632 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.92 -50.85 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 120.849 -1.157 . . . . 0.0 109.008 165.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.495 0.718 . . . . 0.0 109.398 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.9 tm? -62.89 -52.41 63.21 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.686 -0.633 . . . . 0.0 110.56 174.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -52.49 -36.23 54.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.218 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -36.78 74.66 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.692 0.678 . . . . 0.0 112.194 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.5 65.29 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.619 1.168 . . . . 0.0 110.252 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -72.89 -30.65 64.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 117.111 -1.423 . . . . 0.0 112.519 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.91 -58.67 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 119.923 1.238 . . . . 0.0 108.233 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -73.86 -3.24 27.58 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.46 59.02 11.38 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 126.73 2.109 . . . . 0.0 112.123 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.13 170.58 15.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 117.772 0.786 . . . . 0.0 111.091 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.82 161.01 31.25 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 166.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -139.2 113.9 9.2 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 164.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 15.6 mt -124.84 150.08 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -89.4 -139.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.0 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.5 t 164.84 167.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.32 3.048 . . . . 0.0 109.781 154.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m 61.34 61.37 1.54 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.034 2.134 . . . . 0.0 113.076 165.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -78.44 112.55 15.59 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.129 2.572 . . . . 0.0 112.122 -175.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -76.07 142.38 41.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 117.218 -1.372 . . . . 0.0 108.125 165.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -34.1 -54.29 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.324 1.849 . . . . 0.0 114.579 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -62.15 -62.48 1.75 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.104 0.865 . . . . 0.0 111.848 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.8 mm -49.89 -53.73 9.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 107.88 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.437 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 6.1 t -40.54 -58.52 1.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.642 1.977 . . . . 0.0 110.051 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -51.71 -54.17 31.26 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 123.862 0.865 . . . . 0.0 110.859 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.435 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 64.2 mt -56.84 -39.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 126.967 2.107 . . . . 0.0 109.376 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.28 -44.08 92.79 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 120.585 -1.322 . . . . 0.0 109.89 174.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' A' ' 89' ' ' SER . 1.5 mppt? -67.74 -26.32 66.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 7.3 mt -57.67 -58.14 9.66 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.213 1.405 . . . . 0.0 110.797 -174.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.45 19.47 2.79 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.818 0.735 . . . . 0.0 111.109 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.3 m170 46.87 34.86 2.84 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 126.373 1.869 . . . . 0.0 113.43 -170.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.39 -29.53 70.6 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.726 0.811 . . . . 0.0 109.336 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.55 -11.01 2.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.362 2.265 . . . . 0.0 116.034 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -113.0 -5.99 13.76 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.887 1.676 . . . . 0.0 112.67 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.77 -65.2 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -84.44 16.3 3.19 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 126.903 2.081 . . . . 0.0 111.932 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 47.23 -168.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.596 1.089 . . . . 0.0 110.676 -168.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.507 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -161.99 161.09 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.59 155.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 109' ' ' GLU . 61.7 p -146.38 150.72 36.22 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 108.885 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.34 -34.22 65.52 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 163.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -144.75 157.11 44.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 123.005 0.522 . . . . 0.0 110.254 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.51 -39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 127.901 2.48 . . . . 0.0 111.542 161.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -59.04 -26.49 64.62 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.227 0.611 . . . . 0.0 111.198 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 104' ' ' THR . 1.0 OUTLIER -100.22 4.31 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.271 1.428 . . . . 0.0 111.706 -174.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.167 -174.228 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 C--O 1.237 0.413 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 162.38 32.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.26 1.024 . . . . 0.0 109.519 169.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -145.84 105.81 4.01 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.18 83.72 1.81 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -167.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 mt -83.9 133.91 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.865 2.066 . . . . 0.0 108.278 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 11' ' ' GLN . 71.0 t -135.24 143.3 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 126.259 1.824 . . . . 0.0 108.53 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -136.19 37.47 2.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.68 1.992 . . . . 0.0 109.126 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' H ' HG12 ' A' ' 9' ' ' VAL . 51.8 mt-30 -60.64 -11.69 8.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.452 1.101 . . . . 0.0 113.029 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -142.71 -175.47 4.5 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.382 2.673 . . . . 0.0 105.95 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -68.87 4.81 1.32 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -174.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -114.31 123.23 48.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.13 112.86 16.76 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.149 0.98 . . . . 0.0 108.61 169.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -122.46 126.25 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 106.617 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -127.86 108.46 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -172.415 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -69.18 95.05 0.72 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 124.068 0.947 . . . . 0.0 109.154 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 t -67.65 131.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 164.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.3 113.19 12.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.96 -164.43 38.08 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -144.14 15.22 1.69 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.751 1.275 . . . . 0.0 112.891 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.267 32.8 mt 40.74 70.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.612 1 C-N-CA 133.15 4.58 . . . . 0.0 113.362 171.827 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -109.06 -174.98 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 127.85 2.46 . . . . 0.0 108.947 172.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.22 -10.71 60.14 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.475 -1.39 . . . . 0.0 114.559 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -5.05 45.81 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.781 -1.199 . . . . 0.0 111.646 171.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -143.67 -41.61 0.29 Allowed 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.522 -160.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -61.12 -39.44 90.03 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.638 1.108 . . . . 0.0 108.863 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.94 -50.23 5.84 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.544 1.937 . . . . 0.0 112.217 164.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -55.61 3.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.807 1.243 . . . . 0.0 109.942 -170.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tt -44.73 -33.55 1.91 Allowed 'General case' 0 CA--C 1.511 -0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 110.192 169.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -67.05 -56.59 9.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 120.074 1.306 . . . . 0.0 112.014 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.55 -26.78 65.58 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 118.662 0.665 . . . . 0.0 110.794 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -81.21 -38.06 27.62 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.483 1.113 . . . . 0.0 108.82 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -63.17 -35.85 81.66 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.724 166.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.16 70.21 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -54.76 29.33 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.368 1.067 . . . . 0.0 110.19 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 t80 -49.25 -60.47 2.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.041 2.137 . . . . 0.0 110.341 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.466 HG23 ' HD3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -61.87 -27.42 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.45 -173.252 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 m -78.98 -49.09 13.3 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.894 1.679 . . . . 0.0 112.228 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.4 14.56 1.2 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.866 1.667 . . . . 0.0 112.361 -164.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 t -121.79 118.0 27.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.664 1.586 . . . . 0.0 109.243 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 11.02 0.43 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.942 1.697 . . . . 0.0 111.946 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -110.21 119.03 37.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 119.619 -1.926 . . . . 0.0 106.982 -164.032 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.86 -33.91 76.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.822 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.537 ' H ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.42 140.29 31.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 178.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.0 mm -126.1 124.03 65.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -111.86 103.31 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 174.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 17' ' ' VAL . 9.0 tp -84.66 101.85 12.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -84.87 119.39 25.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 mt -111.81 19.98 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.546 0.338 . . . . 0.0 111.684 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -55.42 -22.43 20.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.108 1.763 . . . . 0.0 114.119 -170.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -108.67 -6.5 15.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.327 1.051 . . . . 0.0 112.914 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -92.57 135.99 26.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -130.31 -40.19 1.29 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.529 0.732 . . . . 0.0 112.214 -174.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -75.48 -78.86 0.1 Allowed 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.998 0.919 . . . . 0.0 110.25 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.8 ttp 52.91 125.32 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 0 C-N-CA 128.442 2.697 . . . . 0.0 115.363 -163.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t0 . . . . . 0 N--CA 1.451 -0.423 0 C-N-CA 126.975 2.11 . . . . 0.0 110.657 -179.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.9 -42.59 53.9 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 125.769 1.652 . . . . 0.0 113.115 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 62' ' ' LEU . 11.7 tp -75.78 -16.62 60.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.32 -36.64 5.86 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 118.231 -1.316 . . . . 0.0 110.631 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -52.47 -50.81 61.95 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 119.992 1.896 . . . . 0.0 110.244 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.47 -29.55 66.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.866 2.121 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.71 -28.75 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 O-C-N 121.168 -0.957 . . . . 0.0 109.899 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.62 -53.28 49.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.639 -1.288 . . . . 0.0 108.862 165.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 35' ' ' LEU . 2.3 mm -54.72 -39.06 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 125.574 1.55 . . . . 0.0 108.968 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD11 ' HE3' ' A' ' 73' ' ' LYS . 38.0 tp -63.78 -49.5 72.7 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 120.532 -1.355 . . . . 0.0 111.039 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -54.14 -35.53 62.32 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -68.86 -42.84 76.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.73 1.212 . . . . 0.0 112.099 176.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.67 72.28 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.881 0.872 . . . . 0.0 109.924 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 69' ' ' LEU . 22.1 mmtp -72.36 -33.68 67.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.279 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -53.5 -61.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.812 1.187 . . . . 0.0 108.498 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.36 -3.9 23.24 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.852 0.834 . . . . 0.0 111.88 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.06 58.04 13.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 129.53 3.443 . . . . 0.0 111.746 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.466 ' HD3' HG23 ' A' ' 39' ' ' ILE . 11.2 ptmt -141.6 -175.24 4.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.889 0.845 . . . . 0.0 111.902 -174.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -100.73 159.87 14.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.931 1.293 . . . . 0.0 107.546 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -151.9 108.15 3.42 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.4 mt -128.91 152.56 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.996 1.318 . . . . 0.0 109.025 -174.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.528 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -116.94 176.55 5.07 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 119.096 0.862 . . . . 0.0 108.933 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.26 169.36 16.03 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.77 -0.581 . . . . 0.0 110.34 -167.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m 43.5 64.61 1.19 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.936 1.695 . . . . 0.0 112.843 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.3 111.79 6.92 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.378 2.671 . . . . 0.0 108.292 177.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -69.17 158.24 35.3 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 156.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.45 -50.16 42.22 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.108 0.963 . . . . 0.0 111.067 -172.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.7 m -57.92 -68.19 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.999 2.12 . . . . 0.0 110.776 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.538 ' HA ' HD12 ' A' ' 91' ' ' ILE . 33.6 mm -52.87 -50.34 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.661 1.184 . . . . 0.0 109.899 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -42.14 -57.66 2.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 110.955 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -54.17 30.14 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.218 1.407 . . . . 0.0 110.292 -175.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 88' ' ' ILE . 46.5 mt -52.55 -44.65 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.285 2.234 . . . . 0.0 109.33 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 103' ' ' ILE . 16.0 mt -66.63 -33.68 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 120.858 -1.151 . . . . 0.0 109.991 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -24.05 55.01 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 168.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 16.8 mt -53.74 -68.18 0.2 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 120.951 1.705 . . . . 0.0 109.939 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -85.47 23.01 1.42 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.352 0.661 . . . . 0.0 111.212 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 50.76 34.67 10.47 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 124.663 1.185 . . . . 0.0 112.204 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 100' ' ' ILE . 87.0 mt -67.27 -26.86 66.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -64.76 -3.87 3.74 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.044 2.138 . . . . 0.0 113.479 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -106.32 -0.12 24.59 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 118.027 -2.921 . . . . 0.0 112.559 166.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.414 HD12 HD23 ' A' ' 97' ' ' LEU . 11.8 mt -111.13 -70.97 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -175.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.02 10.43 4.31 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.5 1.12 . . . . 0.0 112.128 173.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.574 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 6.7 ttpt 45.2 -153.4 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.025 0.93 . . . . 0.0 109.23 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.574 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.93 161.46 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 127.138 2.175 . . . . 0.0 107.586 171.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -139.36 157.03 46.58 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -42.54 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 164.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 p -136.06 164.94 26.85 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.16 -33.04 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.512 1.525 . . . . 0.0 110.573 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.55 -8.55 48.2 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.206 1.003 . . . . 0.0 112.31 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.08 9.72 28.3 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.988 1.267 . . . . 0.0 113.57 173.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.28 177.033 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -136.45 162.78 32.12 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.496 1.118 . . . . 0.0 111.541 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -141.89 95.98 2.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 128.097 2.559 . . . . 0.0 107.7 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 92.99 8.26 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 17' ' ' VAL . 10.1 mt -88.99 122.23 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 124.425 1.09 . . . . 0.0 108.196 -173.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 11' ' ' GLN . 13.8 t -139.87 118.22 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 124.997 1.319 . . . . 0.0 109.661 -169.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.8 -12.47 60.7 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' HG12 ' A' ' 9' ' ' VAL . 1.0 OUTLIER 38.25 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 130.954 3.702 . . . . 0.0 113.231 -174.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.96 117.27 11.91 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.868 1.213 . . . . 0.0 108.918 147.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 54.7 30.22 13.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.433 2.293 . . . . 0.0 115.073 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -147.89 114.55 6.02 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.761 -1.212 . . . . 0.0 107.809 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 88.83 5.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.27 151.88 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 38' ' ' PHE . 83.8 t -139.27 107.46 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -76.7 94.95 3.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.499 ' HB ' HD23 ' A' ' 51' ' ' LEU . 53.0 t -68.5 142.0 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -147.92 110.76 4.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.26 -162.06 34.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.89 103.29 3.88 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 54' ' ' VAL . 44.9 mt -76.65 111.64 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -161.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -144.92 -162.01 1.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 164.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -7.48 1.56 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -98.52 4.27 48.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 120.551 1.523 . . . . 0.0 112.576 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -148.52 -28.81 0.3 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 118.404 -0.807 . . . . 0.0 112.733 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -57.28 -44.66 84.22 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 120.501 1.501 . . . . 0.0 108.15 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.8 -27.67 52.4 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 126.413 1.885 . . . . 0.0 113.539 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.05 -43.91 3.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.784 2.034 . . . . 0.0 109.593 -170.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 64' ' ' THR . 1.0 OUTLIER -51.67 -33.82 35.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.837 -1.164 . . . . 0.0 109.397 167.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.43 -54.42 24.41 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 118.424 0.556 . . . . 0.0 111.965 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.75 -32.73 74.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.133 0.879 . . . . 0.0 110.909 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.99 -34.55 24.33 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -170.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.599 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -60.37 -44.44 95.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.022 164.026 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -56.84 -48.32 78.31 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.451 1.023 . . . . 0.0 109.164 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -51.79 -53.18 42.79 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 125.189 1.396 . . . . 0.0 110.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 17' ' ' VAL . 1.1 t80 -57.13 -56.04 26.92 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.894 1.677 . . . . 0.0 110.158 -176.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -37.59 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.617 1.967 . . . . 0.0 110.702 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -67.83 -50.95 53.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.391 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -77.96 -25.66 48.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.457 1.026 . . . . 0.0 111.146 -166.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -70.28 112.84 6.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.947 0.88 . . . . 0.0 110.505 -170.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 m -57.67 -19.38 26.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.694 0.798 . . . . 0.0 112.645 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -78.98 131.67 36.4 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -170.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -31.62 72.17 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.815 170.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -107.9 120.44 42.3 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.953 1.301 . . . . 0.0 109.356 -160.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 46' ' ' LYS . 1.8 mp -119.21 129.59 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 105.663 -1.976 . . . . 0.0 105.663 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.9 95.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HG ' HD21 ' A' ' 51' ' ' LEU . 6.3 tp -80.01 100.91 8.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -175.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.15 120.87 27.13 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 125.993 1.717 . . . . 0.0 108.452 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.566 HD21 ' HG ' ' A' ' 49' ' ' LEU . 1.9 mt -123.05 38.05 4.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -68.02 -27.99 67.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.1 -0.375 . . . . 0.0 111.022 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -82.81 -28.99 29.84 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.624 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 12.2 p -73.67 131.55 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.325 1.42 . . . . 0.0 111.596 -169.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 m -110.92 -27.03 8.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.577 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -110.61 145.32 38.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.105 1.32 . . . . 0.0 110.472 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 ttp -149.98 116.61 5.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.249 1.42 . . . . 0.0 108.976 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 N--CA 1.45 -0.468 0 C-N-CA 127.032 2.133 . . . . 0.0 109.025 170.74 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.46 0 CA-C-O 120.426 0.155 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.61 -34.85 73.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 124.222 0.915 . . . . 0.0 112.221 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 62' ' ' LEU . 5.0 mt -68.91 -53.83 18.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.428 1.114 . . . . 0.0 110.265 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.96 -29.41 59.12 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.97 -0.905 . . . . 0.0 111.628 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.558 HG21 HD23 ' A' ' 31' ' ' LEU . 99.5 m -58.74 -53.86 53.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.405 1.103 . . . . 0.0 109.485 172.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.75 -33.97 67.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.603 1.547 . . . . 0.0 110.933 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.88 -39.04 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.687 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.18 -55.54 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.854 1.207 . . . . 0.0 108.684 167.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.599 HG21 HD12 ' A' ' 35' ' ' LEU . 3.4 mm -55.34 -45.48 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.764 0.825 . . . . 0.0 109.138 -171.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.2 -54.79 41.66 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.496 0.718 . . . . 0.0 110.923 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -55.0 -30.97 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.386 0.275 . . . . 0.0 111.019 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.79 23.91 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.74 2.016 . . . . 0.0 111.639 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.64 -44.05 18.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.771 1.228 . . . . 0.0 111.911 172.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.15 -41.95 80.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 116.857 -1.544 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.93 -50.02 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 120.074 1.307 . . . . 0.0 109.168 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.86 -8.09 55.44 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -172.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.89 69.55 1.33 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 128.691 3.043 . . . . 0.0 110.475 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -145.72 169.69 17.99 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.83 107.98 19.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 130.057 3.343 . . . . 0.0 106.736 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -108.0 112.36 24.9 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 108.827 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.45 153.29 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 124.106 0.963 . . . . 0.0 108.433 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.6 173.45 6.61 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.901 0.88 . . . . 0.0 109.959 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.66 160.88 26.18 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.86 0.864 . . . . 0.0 111.243 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 m 59.62 50.45 7.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.56 1.544 . . . . 0.0 113.12 167.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 103' ' ' ILE . 9.1 mt -58.25 97.78 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 131.379 3.871 . . . . 0.0 112.289 -177.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -72.18 87.33 1.09 Allowed 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 127.153 2.181 . . . . 0.0 107.035 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 24.42 -76.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.124 3.37 . . . . 0.0 115.065 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.19 -66.37 0.36 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.639 1.176 . . . . 0.0 110.993 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.432 ' O ' HD23 ' A' ' 92' ' ' LEU . 3.8 mp -48.47 -58.63 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 125.291 1.436 . . . . 0.0 107.869 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.457 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 1.3 t -34.48 -60.38 0.42 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.723 1.601 . . . . 0.0 113.406 173.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -54.34 21.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.99 1.268 . . . . 0.0 110.943 173.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.572 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 67.9 mt -67.33 -23.67 30.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 124.695 1.198 . . . . 0.0 108.957 -161.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 88' ' ' ILE . 1.6 mm? -77.59 -44.28 28.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.9 -1.75 . . . . 0.0 108.918 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' A' ' 89' ' ' SER . 2.3 mppt? -70.79 -28.52 64.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 95' ' ' THR 0.306 0.1 OUTLIER -56.24 -36.59 68.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.871 1.269 . . . . 0.0 109.575 -173.943 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.646 ' N ' HD12 ' A' ' 94' ' ' LEU . 1.3 p -98.78 7.9 45.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.595 2.758 . . . . 0.0 112.829 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m170 59.08 22.48 10.57 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 120.256 -1.528 . . . . 0.0 113.427 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 100' ' ' ILE . 84.3 mt -71.15 -13.64 62.01 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.495 -1.378 . . . . 0.0 110.288 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.91 -14.96 25.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.86 2.064 . . . . 0.0 114.76 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -111.17 -0.83 16.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.774 0.83 . . . . 0.0 112.232 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 97' ' ' LEU . 81.2 mt -96.47 -38.4 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.332 1.053 . . . . 0.0 108.62 177.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -111.22 11.05 21.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.462 1.905 . . . . 0.0 112.234 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 9.1 ttpp 47.02 -159.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -157.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.568 HD11 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -164.87 168.37 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 126.525 1.93 . . . . 0.0 106.997 157.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.2 p -136.83 168.88 18.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 165.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.37 -45.27 22.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 157.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 p -134.88 156.89 48.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.195 1.398 . . . . 0.0 110.703 -163.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.66 -25.22 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.092 0.957 . . . . 0.0 110.901 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -67.5 -5.45 15.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.773 2.429 . . . . 0.0 112.992 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.55 13.22 8.73 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.734 0.813 . . . . 0.0 111.929 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 116.642 -1.647 . . . . 0.0 110.423 175.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -144.17 167.4 22.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.126 2.97 . . . . 0.0 110.128 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -147.5 114.07 6.0 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.787 1.635 . . . . 0.0 108.39 -171.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.65 83.42 2.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.779 1.632 . . . . 0.0 108.266 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 mt -82.08 142.23 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.7 1.2 . . . . 0.0 108.676 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -141.71 141.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 125.865 1.666 . . . . 0.0 108.272 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -129.65 -136.02 0.22 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.899 1.279 . . . . 0.0 108.425 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.57 -2.99 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.677 2.391 . . . . 0.0 116.864 -169.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.49 27.65 7.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.183 2.193 . . . . 0.0 109.526 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 59.73 -16.71 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.672 2.789 . . . . 0.0 116.384 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 29.4 mttp -98.76 169.05 9.75 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 128.452 2.701 . . . . 0.0 108.942 164.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.45 115.42 27.24 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 129.317 3.047 . . . . 0.0 107.446 164.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.58 125.67 71.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -131.04 104.09 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -169.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 mtp-105 -72.04 101.18 2.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.17 133.23 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 165.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -124.83 113.65 18.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.42 166.48 14.45 Favored Glycine 0 N--CA 1.465 0.574 0 CA-C-N 118.887 0.767 . . . . 0.0 111.302 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.9 179.1 6.78 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.511 1.124 . . . . 0.0 110.287 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.84 83.94 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 122.328 1.061 . . . . 0.0 108.607 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.8 -176.28 2.89 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.488 1.515 . . . . 0.0 108.463 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.44 -12.15 3.6 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.144 -1.597 . . . . 0.0 114.827 163.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -10.65 49.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 120.264 1.393 . . . . 0.0 111.521 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -133.71 -48.3 0.81 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.254 -164.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -53.87 -37.15 63.4 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 120.195 1.361 . . . . 0.0 110.017 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -26.34 8.16 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.479 1.111 . . . . 0.0 113.497 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -120.26 -49.87 2.26 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.767 2.027 . . . . 0.0 111.588 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -42.56 -35.53 1.11 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.211 1.404 . . . . 0.0 110.849 162.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -63.16 -65.15 0.73 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 119.323 0.965 . . . . 0.0 110.095 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.05 -20.55 66.21 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.587 0.63 . . . . 0.0 112.103 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.62 -41.56 21.3 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 26.0 mt -67.56 -28.93 68.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.995 0.918 . . . . 0.0 112.886 170.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -55.27 25.97 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.865 1.266 . . . . 0.0 108.6 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -45.54 86.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.148 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -47.1 -57.85 4.64 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.57 1.548 . . . . 0.0 110.769 178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -63.21 -30.69 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-N 118.494 0.588 . . . . 0.0 112.182 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -84.77 -10.34 57.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.216 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -109.37 -27.77 9.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.656 1.571 . . . . 0.0 112.091 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 39' ' ' ILE . 13.8 t -65.26 115.89 6.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.144 -0.973 . . . . 0.0 110.001 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 4.37 4.69 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 120.487 -1.383 . . . . 0.0 114.243 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.08 149.01 23.4 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 119.141 -2.225 . . . . 0.0 108.472 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -87.34 -1.38 57.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.49 123.17 35.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 -172.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 46' ' ' LYS . 1.7 mp -124.12 125.52 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.47 -2.419 . . . . 0.0 104.47 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.99 106.84 19.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 HG13 ' A' ' 17' ' ' VAL . 5.3 tp -87.65 97.68 11.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.175 0.99 . . . . 0.0 108.397 -175.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.08 114.05 13.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.52 16.13 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 110.595 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.45 -1.68 2.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.905 1.282 . . . . 0.0 113.634 -165.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.02 -4.56 4.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.435 1.494 . . . . 0.0 113.307 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.31 130.99 35.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.42 -50.29 2.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -98.41 150.3 21.76 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.879 0.871 . . . . 0.0 108.753 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.0 ttm -151.35 112.31 4.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.875 2.07 . . . . 0.0 106.322 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 CA--C 1.534 0.343 0 O-C-N 123.635 0.585 . . . . 0.0 110.432 172.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.82 85.69 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 118.895 0.77 . . . . 0.0 114.523 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -67.78 -52.89 31.98 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 117.328 0.564 . . . . 0.0 110.475 -169.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.07 -29.03 69.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.845 -0.975 . . . . 0.0 112.629 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.3 m -58.4 -53.01 63.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 115.3 -2.286 . . . . 0.0 110.367 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.83 -37.91 60.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 122.802 2.546 . . . . 0.0 109.85 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.82 -28.34 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 O-C-N 121.45 -0.781 . . . . 0.0 110.437 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.8 -51.04 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.685 1.129 . . . . 0.0 108.818 161.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.37 -37.86 75.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.19 -55.65 32.19 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.031 -1.043 . . . . 0.0 109.092 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -57.07 -38.35 73.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.592 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -33.58 75.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 118.054 0.388 . . . . 0.0 111.604 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.3 70.46 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 109.973 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.92 -31.94 69.98 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.827 -0.546 . . . . 0.0 110.466 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -57.94 -46.49 87.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 118.973 0.806 . . . . 0.0 110.423 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.478 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 35.0 m-80 -82.31 -4.0 56.39 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.249 1.02 . . . . 0.0 112.88 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.7 61.82 4.74 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.478 1.99 . . . . 0.0 111.25 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.478 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 15.6 ptpt -153.98 -176.97 6.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.015 0.907 . . . . 0.0 112.698 -175.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.3 169.6 9.46 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.529 1.531 . . . . 0.0 111.193 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.55 107.89 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 112.734 -2.03 . . . . 0.0 109.601 -172.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mt -133.88 144.47 35.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 124.676 1.19 . . . . 0.0 109.38 -172.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.77 152.41 34.43 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -171.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -149.95 165.21 33.32 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.03 -160.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m 56.69 46.25 20.48 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.555 1.645 . . . . 0.0 112.289 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.76 101.07 1.0 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 128.705 2.802 . . . . 0.0 111.476 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -59.89 162.38 5.55 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.497 170.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -49.04 -56.48 8.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.509 1.124 . . . . 0.0 112.041 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -63.13 -58.22 7.97 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.879 0.872 . . . . 0.0 111.364 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mm -57.51 -51.77 65.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-O 116.48 -1.724 . . . . 0.0 107.494 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -37.88 -56.31 1.12 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.654 1.57 . . . . 0.0 109.904 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -47.57 78.18 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.429 1.092 . . . . 0.0 112.112 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.582 ' C ' HD12 ' A' ' 94' ' ' LEU . 42.5 mt -70.64 11.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.789 2.436 . . . . 0.0 111.486 176.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -109.2 -39.49 5.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 118.664 -2.522 . . . . 0.0 109.251 160.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.71 63.64 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.022 -1.049 . . . . 0.0 113.444 174.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.582 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -55.38 -34.21 64.13 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.571 1.948 . . . . 0.0 114.678 -172.26 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.497 ' H ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -120.06 21.41 11.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.848 1.259 . . . . 0.0 110.073 176.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.7 m80 56.06 40.97 30.18 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.664 1.185 . . . . 0.0 110.396 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.738 HD23 HD12 ' A' ' 100' ' ' ILE . 34.8 mt -79.34 -23.71 43.24 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 109.821 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.67 -5.25 3.8 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.038 2.135 . . . . 0.0 114.933 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -114.36 1.75 14.52 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.118 1.367 . . . . 0.0 112.723 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.738 HD12 HD23 ' A' ' 97' ' ' LEU . 56.9 mt -103.9 -30.02 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.703 1.201 . . . . 0.0 108.109 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 97' ' ' LEU . 2.5 m-85 -127.46 16.96 7.05 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.273 1.829 . . . . 0.0 111.465 -175.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.535 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 10.8 tttp 48.75 -160.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -165.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.562 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -171.41 154.55 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 125.47 1.508 . . . . 0.0 107.821 158.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.535 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 44.9 p -142.85 118.23 10.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -167.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.2 -33.66 65.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.053 -1.654 . . . . 0.0 110.532 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.3 p -136.43 162.93 31.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 123.901 0.751 . . . . 0.0 111.54 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.95 -24.81 24.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.614 1.566 . . . . 0.0 111.516 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.23 -19.84 63.95 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.958 0.903 . . . . 0.0 112.793 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.19 -2.43 56.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.719 1.145 . . . . 0.0 113.071 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.422 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.253 1.267 0 CA-C-N 119.228 0.922 . . . . 0.0 111.224 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -127.74 165.69 19.59 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.075 2.15 . . . . 0.0 110.688 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.1 mt -136.83 151.02 48.66 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.05 2.14 . . . . 0.0 105.708 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.76 83.61 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -74.36 128.39 36.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.1 t -139.42 131.34 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 94.4 mt-10 -133.52 98.05 4.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.66 1.184 . . . . 0.0 110.552 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -135.25 -48.84 0.72 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.463 0.705 . . . . 0.0 110.157 168.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -80.49 59.4 3.5 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.422 1.106 . . . . 0.0 110.258 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 54.57 10.01 0.31 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.346 2.658 . . . . 0.0 115.321 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HD3' HG21 ' A' ' 48' ' ' VAL . 13.1 ttmt -140.86 162.56 35.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.041 -2.287 . . . . 0.0 106.386 -165.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . . . -112.08 92.16 3.93 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.011 1.324 . . . . 0.0 108.695 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.55 147.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.624 HG13 HD12 ' A' ' 49' ' ' LEU . 1.2 p -148.96 112.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 118.268 0.485 . . . . 0.0 109.807 170.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -81.42 96.43 7.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.419 1.088 . . . . 0.0 108.833 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.4 123.9 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 109.065 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.44 115.88 15.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.214 1.805 . . . . 0.0 108.724 -169.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.32 167.09 25.68 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -83.88 173.66 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.497 1.119 . . . . 0.0 111.312 -161.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.56 40.91 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 121.622 0.725 . . . . 0.0 109.749 -164.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -90.09 -172.86 3.64 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 117.821 -3.049 . . . . 0.0 107.641 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.61 -0.16 0.25 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.156 2.182 . . . . 0.0 114.994 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -95.03 -7.84 38.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 127.348 2.259 . . . . 0.0 113.069 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -148.84 -41.23 0.15 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.145 -162.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.1 p -56.76 -36.3 69.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.384 0.993 . . . . 0.0 108.909 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -24.76 63.4 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.389 1.475 . . . . 0.0 113.313 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -85.61 -60.79 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.402 HD23 HG21 ' A' ' 64' ' ' THR . 2.5 tt -42.22 -32.33 0.48 Allowed 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 127.956 2.503 . . . . 0.0 111.342 169.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.4 ttpt -64.83 -54.46 30.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 118.573 0.624 . . . . 0.0 111.362 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 4.5 pt-20 -71.31 -6.23 38.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.447 1.021 . . . . 0.0 113.152 -170.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.52 -46.05 4.67 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 125.952 1.701 . . . . 0.0 106.482 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.12 -35.26 80.03 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.221 -0.924 . . . . 0.0 111.971 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.87 -13.13 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.106 -0.996 . . . . 0.0 111.313 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' THR . 2.3 m-80 -86.41 -55.95 3.66 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 120.932 -1.105 . . . . 0.0 108.959 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.517 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.7 t80 -40.05 -54.82 2.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 128.314 2.646 . . . . 0.0 111.181 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.46 -20.34 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -77.64 -24.78 49.42 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.996 165.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 37' ' ' ASN . 15.4 t -129.24 56.83 1.67 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.943 1.701 . . . . 0.0 109.66 -167.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -133.5 -39.65 0.9 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.004 1.321 . . . . 0.0 112.537 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m 51.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.61 133.69 36.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 7.25 1.76 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 113.51 5.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 120.533 1.515 . . . . 0.0 109.575 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.66 132.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.516 HG21 ' HD3' ' A' ' 14' ' ' LYS . 94.2 t -121.55 97.86 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 C-N-CA 127.434 2.294 . . . . 0.0 106.537 174.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.624 HD12 HG13 ' A' ' 17' ' ' VAL . 13.4 tp -85.84 93.55 8.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 113.047 -1.888 . . . . 0.0 108.476 -174.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -89.92 121.65 32.22 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 125.331 1.453 . . . . 0.0 112.328 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -122.78 29.61 6.77 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -165.162 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 13.1 p -69.18 -5.54 23.21 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.714 -1.241 . . . . 0.0 112.938 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -122.1 -6.25 8.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 120.573 1.533 . . . . 0.0 114.089 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 8.7 p -72.28 -177.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.591 1.541 . . . . 0.0 108.76 157.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -150.13 -41.0 0.13 Allowed 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.876 -1.14 . . . . 0.0 111.469 152.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.07 124.97 41.22 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -168.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.7 ttm -133.42 124.34 26.94 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 125.45 1.5 . . . . 0.0 110.176 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.54 0.572 0 C-N-CA 127.832 2.453 . . . . 0.0 109.72 174.786 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.24 -32.32 6.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 125.074 1.321 . . . . 0.0 113.381 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.12 -52.19 50.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.857 1.263 . . . . 0.0 110.057 -167.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -9.1 44.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 123.941 0.782 . . . . 0.0 113.226 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.402 HG21 HD23 ' A' ' 31' ' ' LEU . 5.4 m -65.04 -51.29 62.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.868 169.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.59 -30.18 67.01 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.511 1.505 . . . . 0.0 110.816 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.6 -38.16 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 122.968 0.507 . . . . 0.0 110.773 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -57.43 -50.72 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 119.359 0.981 . . . . 0.0 109.339 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mm -59.32 -41.7 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.894 0.878 . . . . 0.0 108.762 -172.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -55.95 27.76 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.225 1.01 . . . . 0.0 111.18 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -47.03 -41.86 17.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.918 0.487 . . . . 0.0 110.479 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -34.13 77.11 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.46 76.41 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.312 1.445 . . . . 0.0 109.522 170.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -73.76 -28.09 61.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.95 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.86 -59.77 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 C-N-CA 124.385 1.074 . . . . 0.0 108.945 165.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -72.02 -5.13 32.84 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.04 62.67 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.751 1.167 . . . . 0.0 112.92 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.71 174.43 10.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.253 1.527 . . . . 0.0 112.343 167.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.9 162.64 13.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.82 1.248 . . . . 0.0 109.655 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -145.3 133.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.717 1.607 . . . . 0.0 108.612 -175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.696 ' C ' HD13 ' A' ' 81' ' ' LEU . 65.8 mt -153.06 148.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 129.079 2.951 . . . . 0.0 105.891 -170.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -125.77 172.53 9.75 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.414 0.686 . . . . 0.0 110.148 -178.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -155.6 152.47 28.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.609 0.568 . . . . 0.0 111.382 -160.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 52' ' ' SER . 5.0 m 54.38 55.8 7.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.148 2.579 . . . . 0.0 115.33 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.877 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -61.82 119.84 9.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 130.551 3.541 . . . . 0.0 110.654 178.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -85.62 159.29 19.88 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.548 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.09 -14.58 61.99 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -73.28 -79.71 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 161.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.1 mm -40.91 -58.16 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 C-N-CA 128.213 2.605 . . . . 0.0 110.079 -173.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 t -45.71 -59.13 2.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.091 1.756 . . . . 0.0 110.268 -171.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -60.03 -43.48 95.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.393 -0.817 . . . . 0.0 110.609 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.4 -36.0 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.786 1.235 . . . . 0.0 110.729 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.93 -45.41 74.39 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.814 -1.179 . . . . 0.0 110.126 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.54 75.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 117.966 -1.016 . . . . 0.0 113.331 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.19 -55.95 9.13 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.093 1.757 . . . . 0.0 110.553 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.32 8.75 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.359 1.864 . . . . 0.0 112.503 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.7 m80 52.96 27.42 5.55 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.103 1.319 . . . . 0.0 113.389 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 100' ' ' ILE . 87.1 mt -73.72 -19.79 60.7 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.687 1.195 . . . . 0.0 110.518 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.52 -6.69 5.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.91 2.084 . . . . 0.0 114.497 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.49 6.18 7.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.674 1.99 . . . . 0.0 111.232 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.462 HD12 HD23 ' A' ' 97' ' ' LEU . 71.0 mt -107.56 -46.04 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.733 1.613 . . . . 0.0 107.492 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.59 ' HB2' HD21 ' A' ' 81' ' ' LEU . 1.8 m-30 -104.31 13.43 32.12 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 126.169 1.788 . . . . 0.0 109.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' HG23 ' A' ' 80' ' ' ILE . 6.6 ttpp 46.47 -159.6 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.108 0.867 . . . . 0.0 109.689 -161.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.584 HG12 HD21 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -167.89 163.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.077 2.151 . . . . 0.0 105.535 152.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.5 p -139.0 143.32 38.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.14 -33.2 74.94 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.81 172.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.5 p -141.55 166.6 24.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.028 0.831 . . . . 0.0 111.979 166.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.7 -23.53 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 126.419 1.888 . . . . 0.0 112.394 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.76 1.27 50.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.127 1.371 . . . . 0.0 112.016 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.8 7.44 37.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.299 0.954 . . . . 0.0 113.084 161.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 119.287 0.949 . . . . 0.0 110.121 -178.634 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 31' ' ' LEU . 2.6 tm? . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -151.21 168.38 24.88 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.876 2.07 . . . . 0.0 110.84 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 mt -145.9 105.73 3.99 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.131 1.332 . . . . 0.0 113.083 -165.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 3.6 t70 -85.45 67.96 10.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.202 1.001 . . . . 0.0 111.56 -175.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 mt -70.41 127.33 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 120.685 -1.259 . . . . 0.0 109.119 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.7 t -141.36 127.27 19.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -102.84 94.97 5.87 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -141.26 -37.1 0.43 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 28.12 1.17 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.258 0.936 . . . . 0.0 111.703 -176.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.06 14.73 9.77 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.827 1.651 . . . . 0.0 112.78 -169.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HD2' HG22 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.73 158.62 41.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 129.646 3.178 . . . . 0.0 107.131 176.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.51 88.38 5.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.462 1.905 . . . . 0.0 107.412 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.57 154.29 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.663 HG13 HD12 ' A' ' 49' ' ' LEU . 1.1 p -150.23 104.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 22.3 mtp180 -81.58 98.92 8.56 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 t -60.98 139.45 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -125.24 135.9 53.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.97 167.72 12.8 Favored Glycine 0 C--O 1.224 -0.476 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -173.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -121.28 128.89 52.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.563 HD12 HG11 ' A' ' 54' ' ' VAL . 57.8 mt -95.23 117.05 38.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 122.958 1.361 . . . . 0.0 108.878 -157.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -136.14 178.61 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.58 0.11 0.36 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.085 1.354 . . . . 0.0 113.758 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.52 -13.61 34.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.105 1.762 . . . . 0.0 113.035 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -138.2 -36.84 0.58 Allowed 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 117.798 -1.096 . . . . 0.0 111.948 -163.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -49.46 -48.35 47.73 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.39 1.076 . . . . 0.0 108.816 173.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.03 -45.16 1.19 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 129.343 3.057 . . . . 0.0 113.348 169.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.98 -46.09 6.03 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 109.538 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD12 HD21 ' A' ' 4' ' ' LEU . 3.7 tt -42.9 -39.65 2.63 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.624 1.17 . . . . 0.0 110.177 165.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.1 ttpt -60.16 -59.17 5.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 123.918 0.761 . . . . 0.0 111.786 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 11.0 pt-20 -66.83 -26.86 67.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.869 0.759 . . . . 0.0 110.863 -172.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.94 -41.57 22.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.348 1.059 . . . . 0.0 109.032 -175.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.0 -41.56 87.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 110.807 165.407 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -61.04 -44.27 97.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.873 0.76 . . . . 0.0 109.941 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.24 -54.2 49.6 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.12 0.568 . . . . 0.0 110.978 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.9 t80 -51.57 -46.93 63.63 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.955 1.702 . . . . 0.0 111.684 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mt -69.41 -25.64 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.778 -1.201 . . . . 0.0 110.524 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -40.43 69.24 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.326 1.421 . . . . 0.0 110.228 173.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -87.21 -48.87 7.69 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.609 0.764 . . . . 0.0 111.149 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.83 125.91 25.49 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.722 0.773 . . . . 0.0 110.625 -158.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -75.25 -25.08 57.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.244 1.417 . . . . 0.0 111.59 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -82.32 120.36 25.31 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.68 1.22 5.57 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 103.46 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.399 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.84 130.92 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 126.587 1.955 . . . . 0.0 106.275 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -128.48 99.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 106.26 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.663 HD12 HG13 ' A' ' 17' ' ' VAL . 6.6 tp -89.66 88.3 7.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.892 -170.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.22 101.1 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.53 11.02 4.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 120.112 -1.618 . . . . 0.0 111.147 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -53.38 -15.83 1.17 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -155.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.9 m -98.26 -36.03 10.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 119.989 -1.694 . . . . 0.0 111.877 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG11 HD12 ' A' ' 23' ' ' ILE . 4.0 t -55.7 110.61 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.761 1.624 . . . . 0.0 109.642 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -97.24 -48.42 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.565 -0.709 . . . . 0.0 110.068 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -87.53 146.81 25.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.281 0.363 . . . . 0.0 110.609 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.413 ' HB2' ' CD1' ' A' ' 88' ' ' ILE . 49.4 ttm -148.61 117.89 6.87 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.882 1.273 . . . . 0.0 109.036 170.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 162.637 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.42 0.629 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -47.11 -69.56 0.86 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 127.348 2.404 . . . . 0.0 110.319 171.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.99 -40.32 76.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.457 -1.025 . . . . 0.0 112.381 -171.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 -16.36 52.52 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.509 -1.162 . . . . 0.0 113.304 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 85.9 m -76.01 -46.47 29.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.026 -2.212 . . . . 0.0 105.026 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -38.56 73.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.971 0.805 . . . . 0.0 109.102 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 t -65.38 -33.71 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.366 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.64 -54.44 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.133 1.373 . . . . 0.0 109.759 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -41.74 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 129.289 3.036 . . . . 0.0 109.364 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.777 HD21 ' HE2' ' A' ' 73' ' ' LYS . 1.5 tm? -64.16 -54.99 25.12 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 120.4 -1.437 . . . . 0.0 111.776 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -51.7 -41.78 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.238 -0.289 . . . . 0.0 110.288 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.09 -43.05 86.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.431 1.492 . . . . 0.0 111.89 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.58 -54.64 30.21 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.99 1.716 . . . . 0.0 111.12 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.777 ' HE2' HD21 ' A' ' 69' ' ' LEU . 45.9 mmtt -64.68 -42.24 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.449 -177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -53.54 -46.57 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.608 1.163 . . . . 0.0 110.162 173.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -78.66 -8.65 58.89 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.37 63.23 4.45 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 125.813 1.673 . . . . 0.0 111.107 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -149.62 174.33 12.68 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.81 1.244 . . . . 0.0 110.021 171.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -96.79 170.74 8.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.318 1.047 . . . . 0.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.67 116.9 5.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.327 1.451 . . . . 0.0 108.39 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.9 mt -133.14 154.05 38.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.28 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.49 154.04 30.04 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.414 0.685 . . . . 0.0 110.151 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.83 164.79 29.29 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 125.241 1.416 . . . . 0.0 112.502 -171.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m 74.28 30.4 1.18 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.551 1.941 . . . . 0.0 114.855 163.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -53.53 105.6 0.14 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 128.116 2.566 . . . . 0.0 113.338 -171.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -70.28 158.96 34.94 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.855 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -46.84 -45.61 20.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.198 1.399 . . . . 0.0 111.091 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -68.24 -71.15 0.22 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.501 1.521 . . . . 0.0 110.342 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 57' ' ' MET . 37.1 mm -48.52 -54.73 4.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 C-N-CA 125.053 1.341 . . . . 0.0 108.824 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.474 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 8.7 t -39.07 -60.42 0.88 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.736 1.614 . . . . 0.0 108.922 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -54.8 -54.85 36.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.738 -1.125 . . . . 0.0 111.145 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 58.6 mt -52.31 -33.33 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.599 1.96 . . . . 0.0 109.884 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.795 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.9 mm? -69.09 -49.72 54.67 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 119.713 -1.867 . . . . 0.0 110.61 171.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -60.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 11.3 mt -52.84 -54.67 31.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.695 1.598 . . . . 0.0 109.917 -178.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.19 14.6 23.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.657 0.783 . . . . 0.0 110.943 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.0 m170 52.49 28.94 6.43 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.044 1.738 . . . . 0.0 113.288 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 100' ' ' ILE . 74.9 mt -68.31 -21.32 64.77 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 120.661 -1.275 . . . . 0.0 110.984 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.04 -11.27 12.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.365 1.466 . . . . 0.0 114.429 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 12.52 10.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.077 1.751 . . . . 0.0 111.758 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.842 HD12 HD23 ' A' ' 97' ' ' LEU . 80.8 mt -106.07 -46.98 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.594 1.958 . . . . 0.0 106.838 168.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.684 ' CE2' HD22 ' A' ' 97' ' ' LEU . 3.0 m-85 -108.23 15.26 24.27 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 126.991 2.116 . . . . 0.0 112.039 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.472 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 5.8 tttp 51.42 -168.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.277 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.795 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -163.16 159.6 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.319 -0.863 . . . . 0.0 109.072 157.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.472 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 25.2 p -140.73 126.03 18.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.239 0.472 . . . . 0.0 109.768 -170.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -62.1 -37.11 83.85 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 120.903 -1.123 . . . . 0.0 110.55 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.3 p -141.25 169.58 17.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.083 1.353 . . . . 0.0 108.591 -172.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.439 HG22 ' HD2' ' A' ' 14' ' ' LYS . 9.5 p -59.04 -24.0 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 174.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.5 -8.23 59.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -8.17 52.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.947 0.794 . . . . 0.0 111.21 167.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 123.963 0.905 . . . . 0.0 113.266 -171.336 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.235 0.327 0 CA-C-O 118.461 -0.78 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -142.56 159.05 43.0 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.502 1.921 . . . . 0.0 110.961 -170.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 mt -139.85 129.6 24.57 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.689 1.596 . . . . 0.0 108.245 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.72 84.54 2.29 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.124 0.97 . . . . 0.0 109.592 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.45 143.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 125.215 1.406 . . . . 0.0 108.512 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.41 139.16 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -129.62 47.31 2.51 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.839 0.856 . . . . 0.0 110.144 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -67.25 173.77 3.67 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.731 1.212 . . . . 0.0 111.139 168.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 40.22 -94.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.839 2.856 . . . . 0.0 112.124 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.38 41.94 0.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.372 1.869 . . . . 0.0 109.316 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HD3' HG21 ' A' ' 48' ' ' VAL . 19.3 ttmm -151.78 144.15 24.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 119.353 -2.092 . . . . 0.0 109.803 176.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.43 9.93 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.175 1.79 . . . . 0.0 109.339 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -112.34 118.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -169.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.637 HG13 HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -124.38 111.89 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 C-N-CA 123.463 0.705 . . . . 0.0 110.372 -167.246 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.04 102.77 7.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 125.076 1.35 . . . . 0.0 108.341 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.31 143.46 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 170.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HA ' ' HB3' ' A' ' 53' ' ' SER . 29.9 mt-30 -130.85 130.56 43.76 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 127.276 2.23 . . . . 0.0 107.883 173.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.63 -177.11 16.72 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.413 1.483 . . . . 0.0 109.523 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.9 m-20 -129.19 109.42 11.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 126.358 1.863 . . . . 0.0 106.699 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.94 134.98 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -173.02 -175.61 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -162.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.25 63.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.281 1.433 . . . . 0.0 112.847 172.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -8.32 59.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -134.61 -49.67 0.77 Allowed 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 115.616 -2.135 . . . . 0.0 111.403 -160.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -47.6 -51.49 21.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.611 2.005 . . . . 0.0 109.628 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -48.14 -30.85 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.962 2.905 . . . . 0.0 114.952 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -60.49 1.52 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.573 1.549 . . . . 0.0 109.746 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.272 16.9 tp -29.31 -42.7 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 129.838 3.255 . . . . 0.0 112.294 169.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmpt? -59.88 -47.6 85.11 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -33.3 75.48 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.782 0.833 . . . . 0.0 109.066 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -82.29 -45.1 15.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -167.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.659 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -63.27 -40.77 98.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.952 0.901 . . . . 0.0 112.354 171.039 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.64 -50.12 71.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.8 -43.29 99.18 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 122.114 -0.366 . . . . 0.0 110.859 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.9 t80 -53.08 -50.35 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.537 1.135 . . . . 0.0 109.907 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.8 mt -60.1 -31.78 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.4 -0.809 . . . . 0.0 112.73 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.1 t -72.24 -28.18 62.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.309 0.959 . . . . 0.0 109.776 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.44 0.22 4.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -153.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -92.41 126.93 37.71 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.8 -5.3 50.33 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.001 -1.062 . . . . 0.0 112.488 172.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 128.87 34.13 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.79 -21.64 66.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.337 168.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 108.23 19.19 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.627 1.103 . . . . 0.0 108.857 -168.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.94 134.91 39.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 126.648 1.979 . . . . 0.0 106.237 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.557 HG21 ' HD3' ' A' ' 14' ' ' LYS . 99.5 t -128.18 97.83 4.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 127.476 2.311 . . . . 0.0 105.107 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.637 HD12 HG13 ' A' ' 17' ' ' VAL . 10.6 tp -79.75 102.93 9.32 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.409 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.65 100.08 12.54 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.633 1.173 . . . . 0.0 109.063 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.04 8.94 9.39 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.887 -1.054 . . . . 0.0 113.424 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -58.73 -3.66 0.34 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -162.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' GLN . 8.1 t -101.77 -34.64 9.36 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.191 -1.568 . . . . 0.0 111.568 169.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 22' ' ' ASP . 2.2 t -68.12 129.37 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -127.22 -30.99 2.6 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 117.613 -1.184 . . . . 0.0 112.147 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -77.1 -95.8 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 111.355 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.405 23.1 ttp 78.56 102.07 0.07 Allowed 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 127.125 2.17 . . . . 0.0 116.769 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.234 0.281 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.357 175.256 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.34 -20.32 67.15 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 118.669 -1.073 . . . . 0.0 113.424 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 91' ' ' ILE . 7.6 mt -61.16 -57.4 12.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.407 1.104 . . . . 0.0 109.232 173.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.84 -29.85 65.3 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-O 118.007 -1.44 . . . . 0.0 112.987 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.1 m -51.65 -54.25 29.97 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.538 1.669 . . . . 0.0 109.583 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.27 -33.72 76.48 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 119.598 1.09 . . . . 0.0 110.594 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -66.74 -37.15 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 122.148 -0.345 . . . . 0.0 110.152 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.02 -51.84 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.186 -0.946 . . . . 0.0 109.018 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.659 HG21 HD12 ' A' ' 35' ' ' LEU . 3.3 mm -57.74 -40.6 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.06 -55.26 36.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 121.261 -0.899 . . . . 0.0 110.761 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -50.32 -38.0 39.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.065 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.04 -44.32 80.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.216 1.407 . . . . 0.0 111.049 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.82 47.23 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.171 1.388 . . . . 0.0 110.129 171.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -71.0 -38.22 72.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.309 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.24 -28.55 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.296 1.038 . . . . 0.0 111.854 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -99.1 -7.08 27.23 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.281 1.032 . . . . 0.0 112.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.85 62.52 6.14 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 126.816 2.151 . . . . 0.0 112.221 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -146.11 179.25 7.62 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.062 0.945 . . . . 0.0 112.358 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.3 164.8 13.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.064 1.412 . . . . 0.0 108.832 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -151.59 107.88 3.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.421 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 102' ' ' LYS . 4.6 mt -123.55 150.57 27.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -118.78 167.77 11.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.533 0.733 . . . . 0.0 109.736 178.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t -162.12 162.4 28.53 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.295 1.038 . . . . 0.0 109.281 -159.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.53 57.77 6.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.855 2.462 . . . . 0.0 114.049 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD21 HG12 ' A' ' 103' ' ' ILE . 3.3 mp -75.9 99.17 4.42 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 130.743 3.617 . . . . 0.0 112.557 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.21 154.94 25.94 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.743 170.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.43 -37.79 82.01 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.659 1.118 . . . . 0.0 112.572 -165.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -77.25 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.614 1.166 . . . . 0.0 110.518 166.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 91' ' ' ILE . 26.1 mm -40.38 -52.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.163 0 C-N-CA 127.633 2.373 . . . . 0.0 110.114 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 t -44.42 -63.33 0.91 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.95 1.7 . . . . 0.0 110.142 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -37.5 70.23 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 118.885 0.766 . . . . 0.0 111.308 -172.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 88' ' ' ILE . 26.1 mt -62.27 -38.08 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.414 1.485 . . . . 0.0 108.421 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' CD1' HD23 ' A' ' 84' ' ' LEU . 8.0 mt -67.97 -35.02 77.66 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 109.382 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -16.13 57.04 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 169.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.87 -69.15 0.23 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 122.231 2.287 . . . . 0.0 108.203 175.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -74.63 9.11 1.94 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.261 1.424 . . . . 0.0 111.121 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.4 m80 46.03 38.64 4.88 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.604 1.562 . . . . 0.0 111.544 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.843 HD23 HD12 ' A' ' 100' ' ' ILE . 86.0 mt -73.81 -21.09 60.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.462 1.105 . . . . 0.0 109.51 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.78 -6.26 1.68 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.82 1.648 . . . . 0.0 114.989 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.57 -0.87 8.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.435 1.494 . . . . 0.0 112.157 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.843 HD12 HD23 ' A' ' 97' ' ' LEU . 83.7 mt -96.99 -45.64 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.791 1.637 . . . . 0.0 108.407 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 1.9 m-85 -111.51 21.02 16.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.884 2.074 . . . . 0.0 110.904 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 1.4 ttpt 46.64 -157.69 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.606 1.162 . . . . 0.0 109.429 -166.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.658 HG12 HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -175.6 157.41 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 C-N-CA 127.181 2.192 . . . . 0.0 107.867 160.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.5 p -139.49 132.55 29.57 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.95 -37.79 88.49 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 118.559 -1.256 . . . . 0.0 110.123 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -141.9 173.09 11.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.503 1.521 . . . . 0.0 109.724 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.0 p -63.25 -15.67 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.656 0.782 . . . . 0.0 111.812 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -22.36 59.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.411 1.084 . . . . 0.0 110.926 174.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -0.08 54.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.469 0.708 . . . . 0.0 112.768 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.405 ' CB ' ' HZ2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.255 1.376 0 CA-C-N 119.551 1.069 . . . . 0.0 112.076 -167.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 121.638 0.732 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -137.36 157.15 47.22 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 127.018 2.127 . . . . 0.0 108.658 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.48 149.33 39.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 125.889 1.676 . . . . 0.0 107.117 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.94 88.17 2.26 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 124.818 1.324 . . . . 0.0 107.909 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.08 138.58 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.618 1.567 . . . . 0.0 108.597 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.0 t -130.68 128.18 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 124.308 1.043 . . . . 0.0 108.265 169.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -135.75 87.59 2.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 162.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -138.88 96.44 3.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 166.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 144.38 -106.49 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 1 C-N-CA 131.795 4.038 . . . . 0.0 104.666 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -155.48 25.45 0.4 Allowed 'General case' 0 C--O 1.223 -0.295 0 O-C-N 119.996 -1.69 . . . . 0.0 110.246 -165.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -150.92 158.58 44.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.563 1.545 . . . . 0.0 107.902 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.96 89.3 3.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 125.973 1.709 . . . . 0.0 109.138 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -80.74 148.98 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' HB ' HD23 ' A' ' 49' ' ' LEU . 22.8 t -139.57 105.3 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.573 1.079 . . . . 0.0 111.307 168.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -73.44 79.3 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 127.607 2.363 . . . . 0.0 109.056 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 t -71.66 132.35 33.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -141.34 78.34 1.64 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.51 1.924 . . . . 0.0 106.155 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.95 131.67 1.81 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.39 153.55 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -131.05 92.82 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.369 0.986 . . . . 0.0 109.398 -164.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -120.66 -170.05 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.905 2.082 . . . . 0.0 108.267 167.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.46 2.34 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.529 1.532 . . . . 0.0 114.92 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.98 -18.42 59.31 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.998 1.272 . . . . 0.0 112.545 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -139.7 -37.46 0.49 Allowed 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.238 -1.363 . . . . 0.0 111.588 -152.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -48.66 -44.96 38.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 121.125 1.784 . . . . 0.0 109.065 168.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -49.02 63.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 127.814 2.446 . . . . 0.0 110.273 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.47 -59.58 2.72 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 126.119 1.768 . . . . 0.0 109.953 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -30.88 -46.45 0.08 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 128.497 2.719 . . . . 0.0 109.642 170.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 4.7 ttpt -59.93 -53.56 56.43 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 118.688 -0.673 . . . . 0.0 112.447 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.417 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.2 tt0 -54.54 -43.53 72.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.527 0.731 . . . . 0.0 110.277 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -73.6 -42.37 61.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -167.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.697 HD12 HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -66.91 -39.99 87.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.465 1.506 . . . . 0.0 112.355 174.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -52.33 66.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.31 99.09 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.689 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' HD2' HD13 ' A' ' 35' ' ' LEU . 2.9 t80 -52.49 -58.18 7.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.179 1.392 . . . . 0.0 109.836 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -33.51 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 121.203 -0.936 . . . . 0.0 110.917 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -44.88 90.72 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.214 0.915 . . . . 0.0 110.364 174.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -77.75 -52.06 9.54 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.804 -0.56 . . . . 0.0 110.316 -172.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 t -48.91 129.24 17.03 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.757 2.023 . . . . 0.0 114.084 -157.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 m -71.88 -12.4 61.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.328 1.051 . . . . 0.0 113.585 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -102.61 138.54 39.38 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.756 1.623 . . . . 0.0 107.043 -165.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -63.23 -25.38 68.3 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.619 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 110.22 20.7 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.868 1.267 . . . . 0.0 108.319 -166.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.3 137.01 33.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -136.46 94.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 C-N-CA 125.386 1.474 . . . . 0.0 108.179 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD11 HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -88.38 93.22 9.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.001 -166.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.74 75.14 2.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.139 2.175 . . . . 0.0 110.292 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.586 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -89.99 64.85 6.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t -101.55 -12.46 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.582 -174.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.3 m -122.24 -7.32 8.79 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -176.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.586 HG11 ' HB3' ' A' ' 51' ' ' LEU . 4.5 p -57.47 157.57 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 120.354 -1.467 . . . . 0.0 110.118 149.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -141.32 -41.09 0.38 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.922 1.289 . . . . 0.0 110.302 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -77.52 135.7 38.24 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.8 ttm -145.59 129.11 17.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 167.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--N 1.325 -0.48 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -178.363 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.24 -41.17 78.3 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.36 1.457 . . . . 0.0 112.666 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.507 HD21 HG22 ' A' ' 91' ' ' ILE . 64.6 mt -68.98 -44.23 73.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 118.178 0.989 . . . . 0.0 111.135 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.6 92.19 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.069 -1.406 . . . . 0.0 111.274 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -51.87 -52.67 47.96 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 119.593 1.696 . . . . 0.0 109.52 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.25 -34.31 72.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.052 1.751 . . . . 0.0 111.677 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -70.39 -30.62 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 120.981 -1.074 . . . . 0.0 112.116 174.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.67 -53.68 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.241 -1.537 . . . . 0.0 108.041 165.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.697 HG21 HD12 ' A' ' 35' ' ' LEU . 3.2 mm -55.28 -38.97 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.883 0.873 . . . . 0.0 109.791 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.92 -50.5 73.52 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.829 -0.544 . . . . 0.0 111.447 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -53.81 -41.94 67.86 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.92 -41.27 97.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.213 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.01 -50.35 71.14 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 124.26 1.024 . . . . 0.0 111.106 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -36.09 69.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 117.379 -1.296 . . . . 0.0 111.5 -177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.52 -57.55 7.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 120.128 1.331 . . . . 0.0 108.61 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -69.26 -10.48 58.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.646 0.778 . . . . 0.0 112.213 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.71 66.58 2.6 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 127.213 2.34 . . . . 0.0 111.953 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -146.59 179.32 7.64 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.98 1.39 . . . . 0.0 112.315 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.79 89.56 3.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.745 2.018 . . . . 0.0 108.385 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.25 113.85 17.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.572 1.549 . . . . 0.0 108.478 176.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.436 HG12 ' HE2' ' A' ' 102' ' ' LYS . 8.3 mt -128.16 146.42 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB2' HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -95.62 -178.38 4.38 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.344 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.77 167.12 19.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.125 -0.984 . . . . 0.0 111.2 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.0 m 66.45 48.43 1.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.897 1.679 . . . . 0.0 112.994 160.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -62.54 112.63 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.307 1.843 . . . . 0.0 111.527 -172.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -66.54 155.68 37.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.051 163.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.8 -34.79 73.5 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.387 0.994 . . . . 0.0 112.094 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.132 1.773 . . . . 0.0 108.619 167.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.5 mm -46.13 -55.48 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 128.216 2.607 . . . . 0.0 108.254 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.496 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 4.7 t -34.58 -67.38 0.14 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.595 1.958 . . . . 0.0 109.588 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -49.85 -44.14 49.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.235 1.014 . . . . 0.0 112.491 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.507 HG22 HD21 ' A' ' 62' ' ' LEU . 15.6 mt -64.71 -37.51 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.906 2.082 . . . . 0.0 108.986 -174.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.72 -36.94 85.9 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.8 -1.187 . . . . 0.0 109.19 173.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HE3' ' O ' ' A' ' 89' ' ' SER . 12.8 mmtp -66.4 -34.28 77.6 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 22.1 mt -55.27 -63.61 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.767 1.627 . . . . 0.0 110.655 -173.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.26 17.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.412 1.885 . . . . 0.0 112.148 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 p80 45.9 29.92 0.8 Allowed 'General case' 0 C--N 1.343 0.301 0 C-N-CA 127.501 2.32 . . . . 0.0 113.224 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.28 -25.01 64.94 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 109.419 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -61.47 -16.22 45.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.915 2.086 . . . . 0.0 114.477 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -105.86 -3.52 21.8 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 168.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.6 mt -92.66 -67.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -79.51 4.58 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.414 1.086 . . . . 0.0 112.488 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HE2' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER 52.16 -169.5 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.492 0.717 . . . . 0.0 109.231 -161.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -160.86 154.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 164.234 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 p -130.45 140.76 50.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 170.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -23.84 58.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.267 170.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 p -140.72 170.93 14.85 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 124.275 0.984 . . . . 0.0 113.332 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.45 -31.03 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.543 0.737 . . . . 0.0 111.1 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.88 -26.78 67.05 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.2 1.0 . . . . 0.0 110.348 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -89.69 6.89 39.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.096 1.358 . . . . 0.0 112.55 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.9 1.28 . . . . 0.0 111.345 -174.472 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.696 0.76 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -145.33 161.09 40.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.045 1.738 . . . . 0.0 109.699 169.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 mt -137.63 145.08 42.29 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 127.133 2.173 . . . . 0.0 106.528 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.41 33.48 5.58 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -174.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -46.64 127.13 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.412 2.285 . . . . 0.0 113.042 -164.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' GLN . 11.2 t -136.87 153.68 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 127.592 2.357 . . . . 0.0 108.928 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -127.29 28.87 5.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 111.709 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' H ' HG12 ' A' ' 9' ' ' VAL . 12.7 tt0 -66.63 169.24 8.03 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.937 1.295 . . . . 0.0 111.225 173.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 60.05 10.99 2.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.957 2.103 . . . . 0.0 114.772 168.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 15.6 m-20 72.09 11.98 5.99 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.299 2.24 . . . . 0.0 113.682 -174.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HE3' ' HB3' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -102.67 175.05 5.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 166.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 153.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.1 mt -129.26 140.87 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.912 -2.625 . . . . 0.0 103.912 -169.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -146.1 100.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.659 0.742 . . . . 0.0 109.468 -176.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -76.3 106.84 8.15 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.918 1.287 . . . . 0.0 107.86 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.71 HG21 HD23 ' A' ' 51' ' ' LEU . 11.1 t -86.18 140.17 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -128.42 109.48 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.685 1.194 . . . . 0.0 108.5 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.08 -177.83 32.09 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.522 1.534 . . . . 0.0 109.6 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.19 131.93 50.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.175 1.39 . . . . 0.0 108.908 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.53 101.74 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 122.999 1.381 . . . . 0.0 108.378 -163.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -131.11 176.34 8.35 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 126.925 2.09 . . . . 0.0 105.824 170.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.14 -16.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.03 -15.99 56.04 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.008 1.276 . . . . 0.0 112.143 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -137.96 -34.22 0.67 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.508 -168.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 p -55.0 -23.41 19.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 121.518 1.963 . . . . 0.0 110.427 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -54.18 -76.0 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.734 2.813 . . . . 0.0 110.998 163.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -81.07 -44.35 18.13 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.953 1.301 . . . . 0.0 113.555 -170.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -41.55 -38.11 1.26 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 125.208 1.403 . . . . 0.0 111.669 167.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.94 -52.27 45.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.185 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.24 -30.88 71.94 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.585 0.754 . . . . 0.0 111.31 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.94 -41.74 20.41 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -61.29 -38.32 86.37 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.586 -0.696 . . . . 0.0 112.095 168.032 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -68.03 -19.69 64.92 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.48 -0.762 . . . . 0.0 111.657 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.45 -47.94 13.59 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 119.497 1.044 . . . . 0.0 110.619 166.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -46.48 -57.06 5.06 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.271 1.829 . . . . 0.0 109.197 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -24.58 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.887 0.875 . . . . 0.0 113.165 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -76.04 -56.26 4.83 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.272 0.942 . . . . 0.0 109.743 169.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -77.21 -15.5 59.46 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.458 1.123 . . . . 0.0 113.19 -164.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.414 HG21 HD11 ' A' ' 47' ' ' ILE . 9.7 t -56.14 -25.98 48.35 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.334 2.254 . . . . 0.0 116.681 -169.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 -54.7 0.39 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 121.628 2.013 . . . . 0.0 114.348 -171.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -78.46 140.84 38.6 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 127.182 2.193 . . . . 0.0 105.114 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -83.73 -15.0 50.26 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.678 -0.639 . . . . 0.0 109.879 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 120.02 34.63 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.414 HD11 HG21 ' A' ' 42' ' ' THR . 1.7 mp -115.59 133.13 62.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.84 123.15 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -115.53 85.75 2.34 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.636 0.731 . . . . 0.0 110.754 -161.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.97 83.98 5.79 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.22 -165.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.71 HD23 HG21 ' A' ' 19' ' ' VAL . 9.1 mt -84.03 28.33 0.61 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.029 1.331 . . . . 0.0 110.997 -174.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 19.3 p -68.09 -9.82 49.23 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -33.5 17.04 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.216 -0.928 . . . . 0.0 109.984 172.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 t -66.33 119.8 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.96 1.704 . . . . 0.0 109.014 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -113.97 -10.2 12.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.039 1.336 . . . . 0.0 112.996 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -138.24 141.47 39.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.273 1.829 . . . . 0.0 107.035 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 ttm -151.47 103.05 2.94 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.877 1.271 . . . . 0.0 109.279 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.5 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.002 -177.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.91 93.34 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 123.88 0.752 . . . . 0.0 112.483 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.612 HD22 HD12 ' A' ' 97' ' ' LEU . 12.9 mt -66.14 -44.06 85.24 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 119.156 -0.449 . . . . 0.0 110.635 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.07 91.59 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 118.735 -1.036 . . . . 0.0 112.16 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -55.47 -52.42 63.7 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.305 1.552 . . . . 0.0 110.158 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.405 HD13 HD21 ' A' ' 81' ' ' LEU . 89.0 mt -58.31 -31.41 67.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.965 1.711 . . . . 0.0 111.598 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.38 -40.94 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 121.316 -0.865 . . . . 0.0 110.98 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.64 -51.02 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.282 0.946 . . . . 0.0 108.559 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.828 HG21 HD12 ' A' ' 35' ' ' LEU . 4.7 mm -59.11 -43.1 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.762 0.425 . . . . 0.0 109.859 -174.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.12 -52.1 66.63 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.399 0.545 . . . . 0.0 110.386 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -51.03 -42.27 60.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.65 76.21 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.052 0.541 . . . . 0.0 112.179 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.78 72.51 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 124.838 1.255 . . . . 0.0 110.425 169.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -69.09 -35.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.843 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.72 -47.01 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 119.273 0.942 . . . . 0.0 109.752 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.509 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 19.7 m-80 -82.58 2.83 31.25 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 113.178 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.28 49.42 78.74 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 126.869 2.176 . . . . 0.0 111.718 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 75' ' ' ASN . 1.4 ptpm? -139.08 -179.58 5.93 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.311 1.045 . . . . 0.0 110.37 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.92 165.48 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.746 1.218 . . . . 0.0 108.661 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -149.7 108.79 3.91 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 2.7 mt -114.9 150.2 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 172.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 65' ' ' LEU . 6.5 mt -84.35 -144.31 0.08 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 117.493 -1.241 . . . . 0.0 107.835 176.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.72 160.56 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.855 2.862 . . . . 0.0 110.486 155.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 52' ' ' SER . 72.5 m 65.17 64.41 0.62 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.898 1.679 . . . . 0.0 111.465 175.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.776 HD21 HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -81.11 103.78 11.14 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.806 2.042 . . . . 0.0 110.556 -176.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -64.5 163.18 13.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.934 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -25.59 58.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.319 1.848 . . . . 0.0 113.156 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -77.73 -71.25 0.43 Allowed 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.94 -51.52 16.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 126.727 2.011 . . . . 0.0 108.683 -164.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.5 t -48.31 -63.06 1.18 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.557 1.071 . . . . 0.0 110.012 -175.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -42.11 57.77 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 123.519 0.727 . . . . 0.0 111.839 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.84 -48.4 86.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.08 -32.18 63.9 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 119.361 -2.087 . . . . 0.0 110.805 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -76.81 -32.58 57.71 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -18.18 61.81 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.547 1.939 . . . . 0.0 112.902 -174.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.85 3.36 12.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.908 2.883 . . . . 0.0 111.519 177.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 m170 57.54 24.61 10.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.284 1.833 . . . . 0.0 113.026 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.612 HD12 HD22 ' A' ' 62' ' ' LEU . 56.8 mt -64.31 -23.46 67.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.843 -1.161 . . . . 0.0 110.575 176.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -14.11 16.13 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 175.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -109.22 -1.5 18.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.322 0.964 . . . . 0.0 112.241 172.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.58 -39.1 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.373 1.469 . . . . 0.0 107.518 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -110.61 10.8 22.93 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.038 1.735 . . . . 0.0 111.46 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.0 tttp 50.7 -166.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 109.653 -162.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.776 HG12 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -159.91 165.54 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.185 154.072 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 p -149.22 147.57 28.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.47 -26.35 55.28 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.929 173.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.6 p -145.89 162.25 38.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.07 -28.98 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 122.584 0.354 . . . . 0.0 110.82 169.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.95 -12.82 60.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.118 1.367 . . . . 0.0 113.156 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.36 -1.87 53.06 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.161 1.346 . . . . 0.0 112.311 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.579 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.173 1.389 . . . . 0.0 110.002 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.412 HD13 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 171.88 16.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.976 0.807 . . . . 0.0 112.524 -177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.2 mt -136.24 145.87 46.1 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.086 2.154 . . . . 0.0 108.465 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 79.02 1.87 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 mt -82.91 123.66 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 123.634 0.773 . . . . 0.0 109.255 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -130.07 145.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 125.963 1.705 . . . . 0.0 107.725 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.98 19.87 10.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.147 1.379 . . . . 0.0 112.774 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 25.29 -66.88 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 1 C-N-CA 132.88 4.472 . . . . 0.0 116.985 164.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -153.02 -62.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 157.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -103.85 -21.53 13.64 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -170.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 3.4 mttp -107.82 171.67 7.27 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.058 2.143 . . . . 0.0 108.314 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.98 50.25 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 108.165 155.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mt -142.56 121.5 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 -167.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -130.04 105.76 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 118.348 0.522 . . . . 0.0 109.692 -169.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.92 98.59 4.95 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.03 0.932 . . . . 0.0 108.699 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -62.79 139.44 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.46 131.75 50.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.68 1.992 . . . . 0.0 106.9 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -139.77 11.34 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.644 ' HA ' HG13 ' A' ' 54' ' ' VAL . 8.4 m-20 -141.5 179.58 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.622 2.769 . . . . 0.0 106.086 171.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.638 HD12 HG11 ' A' ' 54' ' ' VAL . 62.4 mt -131.9 94.07 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -149.74 -168.39 3.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 120.856 -1.152 . . . . 0.0 108.676 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.66 -5.07 4.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.733 1.151 . . . . 0.0 113.694 -176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.95 -7.82 58.41 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.224 0.92 . . . . 0.0 112.502 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -150.19 -52.84 0.15 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.149 -153.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -39.45 -47.4 1.82 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.898 2.079 . . . . 0.0 109.874 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -42.63 79.06 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.934 2.094 . . . . 0.0 113.272 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -94.94 -53.7 3.74 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 127.101 2.16 . . . . 0.0 108.567 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 23' ' ' ILE . 5.5 tp -41.02 -35.93 0.6 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.933 1.693 . . . . 0.0 111.929 163.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.95 -53.13 43.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 119.056 0.843 . . . . 0.0 111.666 173.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.56 -20.15 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.693 1.197 . . . . 0.0 111.736 -175.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.35 -46.85 5.37 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.231 1.412 . . . . 0.0 107.276 -170.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 49' ' ' LEU . 33.1 mt -66.57 -25.22 66.53 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 169.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.64 -59.34 4.99 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 167.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -41.17 92.83 Favored 'General case' 0 CA--C 1.521 -0.173 0 O-C-N 123.274 0.359 . . . . 0.0 111.241 -174.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 5.8 t80 -52.49 -47.27 66.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.732 1.213 . . . . 0.0 111.908 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 71' ' ' ASP . 8.7 mm -62.14 -36.83 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.372 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -46.47 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.894 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.9 p -69.94 -43.28 71.92 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 119.387 0.994 . . . . 0.0 110.356 -170.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 t -64.27 141.06 58.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.047 0.939 . . . . 0.0 111.391 -169.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -103.27 -0.8 29.82 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.366 -0.834 . . . . 0.0 112.94 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 14.4 mmmt -79.39 142.17 36.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 172.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -91.03 -10.93 40.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.016 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 123.75 48.08 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 127.012 2.125 . . . . 0.0 106.046 177.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -128.65 106.34 14.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 -167.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -104.13 108.57 24.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 HG13 ' A' ' 17' ' ' VAL . 7.2 tp -86.97 121.21 29.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -106.9 106.92 17.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -170.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.21 12.08 32.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.212 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 p -52.4 -26.06 11.55 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -168.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -48.58 11.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.075 1.35 . . . . 0.0 110.402 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.644 HG13 ' HA ' ' A' ' 22' ' ' ASP . 61.6 t -59.7 124.01 13.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 126.956 2.102 . . . . 0.0 109.206 -172.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -102.93 -24.81 13.64 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.868 0.867 . . . . 0.0 112.659 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -134.47 145.4 48.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.85 1.66 . . . . 0.0 109.833 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.504 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.75 115.37 12.83 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.853 1.261 . . . . 0.0 108.534 174.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.76 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' HG22 ' A' ' 23' ' ' ILE . . . -71.5 -37.76 62.21 Favored Glycine 0 N--CA 1.448 -0.523 0 O-C-N 121.361 -0.837 . . . . 0.0 112.628 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.663 HD21 HG22 ' A' ' 91' ' ' ILE . 6.9 mt -59.1 -53.92 52.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.53 -21.91 69.22 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-O 118.249 -1.306 . . . . 0.0 113.367 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.44 -44.17 75.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 119.849 1.824 . . . . 0.0 110.395 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.49 -33.87 71.88 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.66 2.482 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.56 -22.34 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 122.988 0.515 . . . . 0.0 110.856 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.44 -46.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 120.264 -1.522 . . . . 0.0 110.586 170.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.22 -36.31 73.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.55 -52.92 63.6 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.516 -0.74 . . . . 0.0 112.291 166.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -51.5 -41.53 61.03 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.645 0.657 . . . . 0.0 109.88 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.525 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -68.42 -39.56 81.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.943 178.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.78 -44.49 73.75 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.546 1.138 . . . . 0.0 110.674 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.89 -39.75 83.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.823 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.8 -30.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 123.71 0.804 . . . . 0.0 112.422 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.511 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 33.4 m-80 -95.9 -6.82 38.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.889 0.875 . . . . 0.0 112.162 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.38 64.16 3.8 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 126.766 2.126 . . . . 0.0 111.447 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 7.9 ptpt -146.57 169.5 18.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.663 0.785 . . . . 0.0 111.452 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -80.48 170.66 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.694 1.198 . . . . 0.0 108.657 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -157.07 111.62 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.97 155.71 33.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 125.654 1.582 . . . . 0.0 108.731 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -125.0 169.49 12.07 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.651 0.781 . . . . 0.0 109.447 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 t -164.8 162.95 21.31 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -159.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m 49.95 65.11 1.52 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 123.46 1.6 . . . . 0.0 112.853 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD21 HG12 ' A' ' 103' ' ' ILE . 1.8 mp -76.83 95.85 4.16 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.759 1.624 . . . . 0.0 112.085 -170.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.38 83.29 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.315 1.446 . . . . 0.0 109.61 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 27.02 -77.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.995 3.718 . . . . 0.0 115.528 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.488 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -39.49 -69.09 0.14 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.037 1.335 . . . . 0.0 110.082 166.845 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.442 HD11 HG12 ' A' ' 54' ' ' VAL . 1.7 mp -49.06 -52.42 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.423 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.5 t -43.57 -65.54 0.48 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 29.8 ptt85 -61.74 -40.76 96.26 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 120.987 -1.071 . . . . 0.0 112.435 -166.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.663 HG22 HD21 ' A' ' 62' ' ' LEU . 25.1 mt -52.19 -39.54 27.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 126.971 2.108 . . . . 0.0 109.915 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 103' ' ' ILE . 5.9 mt -69.37 -39.62 77.94 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 120.498 -1.376 . . . . 0.0 109.558 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -75.76 -14.85 60.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.93 -71.2 0.16 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 120.587 1.539 . . . . 0.0 108.163 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.39 11.24 4.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.916 0.886 . . . . 0.0 111.061 -176.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m80 61.45 25.54 15.46 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.801 1.64 . . . . 0.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.709 HD23 HD12 ' A' ' 100' ' ' ILE . 84.2 mt -60.6 -21.56 62.8 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.754 -1.216 . . . . 0.0 112.435 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.07 -7.0 2.22 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 119.58 1.082 . . . . 0.0 111.856 168.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -107.59 -0.06 22.26 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 117.756 -3.09 . . . . 0.0 113.229 166.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.709 HD12 HD23 ' A' ' 97' ' ' LEU . 96.3 mt -105.48 -33.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 126.365 1.866 . . . . 0.0 109.027 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CD2' HD11 ' A' ' 81' ' ' LEU . 4.6 m-85 -122.58 7.49 9.49 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 127.359 2.264 . . . . 0.0 112.684 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.2 ttpp 48.33 -159.44 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -163.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.629 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -174.76 156.8 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 126.908 2.083 . . . . 0.0 107.49 165.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -137.5 142.14 41.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -41.06 81.0 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 117.579 -1.648 . . . . 0.0 108.552 166.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.9 p -139.62 163.6 32.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.618 0.767 . . . . 0.0 111.715 -172.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.2 p -54.89 -28.92 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.548 1.939 . . . . 0.0 111.714 173.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.99 -9.56 58.55 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.222 1.409 . . . . 0.0 112.052 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.81 3.75 37.07 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.781 1.232 . . . . 0.0 112.94 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.583 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.746 0.819 . . . . 0.0 110.656 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--O 1.237 0.443 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.67 164.62 27.8 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 126.562 1.945 . . . . 0.0 110.338 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -150.52 95.61 2.26 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.303 1.841 . . . . 0.0 108.026 -164.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.44 73.44 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.56 -165.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 mt -78.4 124.44 36.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.023 1.329 . . . . 0.0 108.981 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.9 t -134.43 147.9 29.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 127.307 2.243 . . . . 0.0 106.678 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -129.36 -91.61 0.46 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.3 0.64 . . . . 0.0 110.531 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 25.79 66.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.619 3.168 . . . . 0.0 113.232 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 179.21 -106.75 0.0 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 103.733 -2.692 . . . . 0.0 103.733 157.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -150.42 48.13 0.89 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.55 1.54 . . . . 0.0 110.7 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -154.78 127.96 8.34 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 126.784 2.034 . . . . 0.0 108.067 166.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.07 125.67 35.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.2 mt -125.54 134.16 67.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 -174.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG13 HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -136.09 109.31 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 13.0 mtp180 -79.84 96.33 6.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 t -66.33 124.09 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -138.56 112.84 8.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.041 1.336 . . . . 0.0 107.982 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.62 148.58 10.53 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.47 169.24 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.825 1.25 . . . . 0.0 110.759 -163.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.54 HG23 HD22 ' A' ' 31' ' ' LEU . 96.4 mt -127.67 13.83 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.89 -0.506 . . . . 0.0 110.537 -160.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.25 -167.7 1.11 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.937 -2.352 . . . . 0.0 110.178 -169.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -6.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 119.879 -1.763 . . . . 0.0 114.373 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -86.99 -12.12 48.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 120.412 1.46 . . . . 0.0 112.112 170.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -142.26 -36.38 0.41 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.419 -167.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -48.72 -41.42 31.91 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 122.934 2.606 . . . . 0.0 109.898 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.87 -41.54 3.33 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.715 2.406 . . . . 0.0 113.597 170.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -108.41 -43.85 4.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 120.068 1.304 . . . . 0.0 112.814 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -42.19 -39.94 2.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 109.608 168.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -61.63 -54.22 45.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.8 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -65.15 -31.13 72.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.762 0.71 . . . . 0.0 111.564 -174.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -81.3 -39.58 24.97 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.94 -31.25 69.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 112.781 171.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -52.62 64.51 Favored 'General case' 0 CA--C 1.518 -0.264 0 O-C-N 121.088 -1.008 . . . . 0.0 108.752 171.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.68 -37.6 84.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.371 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.5 t80 -52.69 -52.27 56.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.987 0.515 . . . . 0.0 109.923 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.76 -33.74 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.348 0.659 . . . . 0.0 111.709 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -77.2 -19.97 55.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 113.864 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -114.27 17.19 17.73 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.914 1.285 . . . . 0.0 109.973 -171.115 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -123.94 104.03 8.68 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.764 -1.21 . . . . 0.0 110.082 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -73.14 14.37 0.31 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.56 -1.337 . . . . 0.0 113.581 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -102.26 134.71 45.11 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 119.893 -1.755 . . . . 0.0 107.572 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.41 -6.91 16.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.268 171.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' C ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -133.61 118.1 17.82 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.099 1.76 . . . . 0.0 107.976 -165.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 46' ' ' LYS . 1.8 mp -119.76 131.76 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -176.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.81 98.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 128.0 2.52 . . . . 0.0 105.866 -172.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.63 HD12 HG13 ' A' ' 17' ' ' VAL . 8.8 tp -88.25 100.84 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.34 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 2.7 t70 -96.21 117.6 31.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.782 0.833 . . . . 0.0 111.341 -165.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' HB3' HG12 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -120.9 21.04 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.97 -0.456 . . . . 0.0 111.585 -168.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -49.83 -37.76 32.0 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.462 0.705 . . . . 0.0 111.073 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -76.25 -45.37 33.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' A' ' 51' ' ' LEU . 3.4 p -72.79 -178.75 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.153 0.502 . . . . 0.0 110.183 -168.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -155.58 -34.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.616 -1.303 . . . . 0.0 111.276 165.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.13 126.21 31.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -170.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.4 ttm -147.99 152.85 38.17 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 165.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 129.929 3.291 . . . . 0.0 107.327 -173.619 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 CA-C-O 121.289 0.566 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.77 -37.52 39.21 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 125.357 1.456 . . . . 0.0 113.066 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 91' ' ' ILE . 15.9 mt -64.4 -52.35 58.64 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 117.845 0.823 . . . . 0.0 110.601 -170.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -61.85 -21.21 60.75 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-O 117.911 -1.494 . . . . 0.0 111.915 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -65.88 -49.19 68.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 119.132 1.466 . . . . 0.0 110.082 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.02 -35.53 73.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 121.483 1.947 . . . . 0.0 111.283 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -63.57 -35.17 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.525 0.73 . . . . 0.0 110.559 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 63' ' ' GLY . 74.0 t -64.69 -48.98 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 120.505 -1.372 . . . . 0.0 109.662 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.1 -36.06 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.41 -53.5 56.78 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.56 0.618 . . . . 0.0 110.578 170.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -51.69 -44.62 63.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 110.306 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.64 71.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.681 0.792 . . . . 0.0 110.725 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.72 -47.08 83.42 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.732 0.813 . . . . 0.0 110.607 171.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -77.06 -22.73 52.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.252 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 164.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -72.89 -4.5 32.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.816 0.846 . . . . 0.0 112.917 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.07 53.29 5.79 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 126.419 1.961 . . . . 0.0 113.267 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.73 173.49 11.43 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.963 -1.316 . . . . 0.0 112.242 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.12 169.1 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.566 1.547 . . . . 0.0 109.477 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -161.87 106.08 1.23 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -170.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 33.4 mt -135.54 152.71 31.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 124.7 1.2 . . . . 0.0 109.375 -169.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.47 167.13 10.55 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.664 0.745 . . . . 0.0 109.489 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 m -156.15 148.96 24.02 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.058 1.343 . . . . 0.0 109.947 -166.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.7 m 54.67 62.95 2.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.518 2.327 . . . . 0.0 114.252 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.687 HD21 HG12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -73.85 99.14 3.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.094 2.958 . . . . 0.0 111.229 178.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -55.4 152.06 9.21 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.728 165.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -47.61 -53.79 13.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.752 1.615 . . . . 0.0 111.476 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -71.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.403 1.881 . . . . 0.0 110.553 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -48.84 -52.03 10.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 C-N-CA 125.609 1.564 . . . . 0.0 108.885 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 11.6 t -46.4 -56.92 5.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.4 1.48 . . . . 0.0 108.789 -171.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -41.38 85.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 120.275 1.398 . . . . 0.0 111.061 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.552 ' O ' HD21 ' A' ' 62' ' ' LEU . 65.7 mt -67.47 -7.04 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 O-C-N 125.383 1.677 . . . . 0.0 107.286 -171.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -92.67 -45.47 8.04 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 118.423 -2.673 . . . . 0.0 110.242 164.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HE3' ' O ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -67.5 -24.3 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.819 -1.176 . . . . 0.0 112.273 -175.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -60.98 -15.54 32.77 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 129.132 2.973 . . . . 0.0 114.982 -173.503 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 21.29 2.53 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.843 1.257 . . . . 0.0 111.39 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m170 52.63 31.03 9.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.002 0.921 . . . . 0.0 112.814 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.432 HD23 HD12 ' A' ' 100' ' ' ILE . 72.5 mt -62.18 -32.13 72.72 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.72 -6.72 8.52 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.813 2.045 . . . . 0.0 115.204 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -119.15 -2.19 10.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.533 1.06 . . . . 0.0 112.528 167.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.432 HD12 HD23 ' A' ' 97' ' ' LEU . 78.9 mt -84.44 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 165.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 2.9 m-30 -76.15 5.28 7.04 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.937 2.095 . . . . 0.0 112.55 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.99 -171.46 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.529 0.68 . . . . 0.0 110.258 -161.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.687 HG12 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -160.88 152.61 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 O-C-N 121.257 -0.902 . . . . 0.0 108.756 160.159 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -131.04 155.21 47.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.11 -48.18 58.71 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.344 -1.472 . . . . 0.0 108.826 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 p -143.24 164.41 30.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.36 1.064 . . . . 0.0 109.353 -166.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.23 -20.89 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.162 -171.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -13.87 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.504 0.593 . . . . 0.0 110.859 170.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.06 0.31 34.76 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.508 -0.745 . . . . 0.0 111.313 172.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 124.896 1.278 . . . . 0.0 109.615 170.509 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp . . . . . 0 C--O 1.233 0.23 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.37 156.23 48.02 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.595 1.958 . . . . 0.0 108.172 170.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.4 mt -137.65 135.2 36.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -132.11 84.55 2.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.34 0.591 . . . . 0.0 110.614 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -76.04 143.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.721 1.609 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -145.38 137.05 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 128.197 2.599 . . . . 0.0 107.957 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -142.51 57.85 1.44 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.597 1.09 . . . . 0.0 113.07 -167.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -86.56 -75.88 0.37 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.657 1.117 . . . . 0.0 111.396 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 14' ' ' LYS . 3.9 p-10 -74.2 46.83 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.108 2.963 . . . . 0.0 112.626 -168.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 59.11 -12.88 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 129.338 3.055 . . . . 0.0 115.41 -178.207 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 12' ' ' ASP . 14.7 ttmt -79.57 135.4 36.59 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 131.072 3.749 . . . . 0.0 106.127 166.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.97 33.79 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 151.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.53 128.96 70.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.75 HG13 HD12 ' A' ' 49' ' ' LEU . 1.1 p -137.4 119.73 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 119.441 1.019 . . . . 0.0 110.326 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -75.56 105.5 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.898 0.879 . . . . 0.0 109.432 176.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.1 122.13 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -129.4 119.83 24.5 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.187 2.595 . . . . 0.0 106.05 -169.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.11 -153.33 24.78 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -146.24 16.34 1.34 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt 25.75 61.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 131.687 3.995 . . . . 0.0 113.741 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.85 -176.65 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 120.539 -1.351 . . . . 0.0 109.794 172.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -12.1 0.16 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.563 1.545 . . . . 0.0 114.238 158.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.9 0.29 57.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.532 1.933 . . . . 0.0 112.265 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -153.16 -40.36 0.1 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.774 -167.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -20.16 64.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.035 1.743 . . . . 0.0 112.746 -171.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -27.48 66.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.638 1.975 . . . . 0.0 110.956 169.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.74 -48.51 4.27 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 129.528 3.131 . . . . 0.0 109.995 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -36.69 -46.35 0.59 Allowed 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.07 2.148 . . . . 0.0 109.506 169.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.18 -50.23 74.5 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.592 0.558 . . . . 0.0 111.573 -175.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.23 -35.89 81.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.039 0.536 . . . . 0.0 110.358 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.93 -38.27 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -168.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -66.07 -43.24 87.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.314 1.045 . . . . 0.0 111.034 167.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -51.04 65.17 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.21 -49.54 63.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.834 1.653 . . . . 0.0 110.214 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.2 t80 -58.34 -55.07 39.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.145 1.378 . . . . 0.0 110.316 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -31.22 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.216 1.406 . . . . 0.0 110.89 176.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -64.21 -57.89 8.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.204 1.001 . . . . 0.0 109.854 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -93.6 -12.35 29.67 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -158.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -58.25 -33.16 69.08 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.9 -12.42 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -156.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 20.5 mmmt -79.32 135.42 36.73 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 121.569 1.986 . . . . 0.0 107.532 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.3 8.22 19.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.495 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 105.81 4.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -171.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.58 123.68 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 N-CA-C 103.243 -2.873 . . . . 0.0 103.243 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.11 110.01 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.75 HD12 HG13 ' A' ' 17' ' ' VAL . 15.7 tp -103.66 96.71 6.9 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.19 -1.368 . . . . 0.0 107.669 -169.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -79.83 99.46 7.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.638 1.975 . . . . 0.0 107.012 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 17.8 3.02 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 119.872 -1.767 . . . . 0.0 111.711 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -50.13 -36.96 31.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.409 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -89.79 -29.47 18.64 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -169.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.38 -177.54 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 119.289 0.95 . . . . 0.0 108.788 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -147.42 -30.97 0.32 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.311 -2.118 . . . . 0.0 113.726 163.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -119.8 167.99 11.54 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.381 1.072 . . . . 0.0 108.343 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.2 ttm -169.25 125.67 0.91 Allowed 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.647 1.979 . . . . 0.0 107.788 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 123.985 0.914 . . . . 0.0 110.722 171.529 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.73 -27.48 64.11 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.352 -1.249 . . . . 0.0 115.433 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 62' ' ' LEU . 6.5 tp -70.33 -59.9 2.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.108 1.954 . . . . 0.0 109.339 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.72 -19.94 75.39 Favored Glycine 0 N--CA 1.437 -1.253 0 O-C-N 123.785 0.678 . . . . 0.0 112.161 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.1 m -52.06 -53.6 40.19 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.598 1.199 . . . . 0.0 109.298 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.21 -30.51 69.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.514 1.506 . . . . 0.0 111.252 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.72 -40.22 85.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 121.535 -0.728 . . . . 0.0 110.721 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.24 -50.26 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 120.759 -1.213 . . . . 0.0 109.854 170.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 35' ' ' LEU . 3.3 mm -57.15 -43.8 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -174.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.86 -54.79 43.18 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.881 0.764 . . . . 0.0 110.479 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -52.39 -38.35 58.7 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.845 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -43.89 91.3 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.193 0.997 . . . . 0.0 112.896 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.1 -52.19 27.3 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.261 1.424 . . . . 0.0 109.02 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -67.99 -41.73 81.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.192 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.0 -43.52 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.602 1.561 . . . . 0.0 111.085 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -84.19 -6.92 59.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.125 0.97 . . . . 0.0 112.283 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.15 49.51 6.29 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 118.335 -1.258 . . . . 0.0 113.995 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.04 167.13 23.41 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.976 1.888 . . . . 0.0 113.399 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.17 170.92 15.82 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.4 1.08 . . . . 0.0 109.933 169.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -151.42 136.1 17.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.598 1.559 . . . . 0.0 107.895 174.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.1 mt -156.06 145.96 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 128.121 2.569 . . . . 0.0 104.368 -169.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -123.36 172.03 8.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.105 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -161.97 154.8 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.548 1.539 . . . . 0.0 110.758 -158.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m 65.37 49.63 1.86 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.117 1.767 . . . . 0.0 113.725 167.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.554 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -71.89 110.0 6.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.705 2.402 . . . . 0.0 111.253 -174.02 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -70.22 156.54 39.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.073 -1.422 . . . . 0.0 110.566 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.21 -31.93 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 120.151 1.342 . . . . 0.0 114.112 -170.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -71.0 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 120.153 1.342 . . . . 0.0 108.303 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 91' ' ' ILE . 6.4 mm -45.24 -50.4 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 128.391 2.676 . . . . 0.0 109.887 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.7 t -48.43 -55.25 11.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.026 1.33 . . . . 0.0 108.845 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.38 -40.74 95.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.601 -1.312 . . . . 0.0 110.899 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 88' ' ' ILE . 2.7 mt -55.22 -44.66 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.304 1.042 . . . . 0.0 109.626 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 103' ' ' ILE . 4.7 mt -61.98 -39.5 92.41 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.103 -0.998 . . . . 0.0 109.923 178.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -26.48 62.35 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 9.0 mt -56.07 -68.52 0.2 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.115 1.766 . . . . 0.0 108.251 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.74 12.72 0.98 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.722 1.609 . . . . 0.0 112.643 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB3' ' HE3' ' A' ' 99' ' ' LYS . 82.8 m-70 46.71 27.53 0.68 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 126.416 1.887 . . . . 0.0 113.218 -170.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.3 -27.15 68.27 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.148 -0.97 . . . . 0.0 109.228 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.73 -16.34 38.92 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' HE3' ' HB3' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.888 1.222 . . . . 0.0 110.051 165.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.7 mt -68.83 -34.13 62.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.312 1.445 . . . . 0.0 110.029 -167.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.637 ' HB2' HD21 ' A' ' 81' ' ' LEU . 4.5 m-85 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 126.512 1.925 . . . . 0.0 111.312 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 49.6 -167.19 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -156.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.571 HD11 HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -166.07 160.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 158.438 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 109' ' ' GLU . 43.2 p -136.15 154.12 51.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.918 1.236 . . . . 0.0 111.244 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.34 -49.96 56.65 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -134.1 165.67 24.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 122.147 0.975 . . . . 0.0 112.305 -169.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.92 -34.1 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.255 1.422 . . . . 0.0 109.936 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -71.7 -14.62 62.08 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.217 1.007 . . . . 0.0 112.343 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' A' ' 104' ' ' THR . 3.5 mp0 -85.24 -12.34 52.74 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.783 1.174 . . . . 0.0 112.612 170.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -172.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--O 1.235 0.334 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.99 166.56 22.75 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.926 1.29 . . . . 0.0 110.364 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -142.82 105.33 4.47 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.204 1.401 . . . . 0.0 107.781 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.46 86.26 3.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.459 HG12 HG22 ' A' ' 17' ' ' VAL . 20.3 mt -84.0 138.71 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.82 120.05 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 119.563 1.074 . . . . 0.0 108.71 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' HB3' ' HZ2' ' A' ' 44' ' ' LYS . 52.9 mt-10 -82.66 87.83 6.72 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 166.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.92 -175.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.607 2.363 . . . . 0.0 109.921 167.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -36.7 -50.58 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.717 2.007 . . . . 0.0 113.523 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.432 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -140.0 -2.19 1.52 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.444 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -114.01 156.98 23.1 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.655 2.382 . . . . 0.0 109.22 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.16 110.02 21.99 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 129.043 2.937 . . . . 0.0 108.679 165.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -97.02 147.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.559 1.544 . . . . 0.0 107.613 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 38' ' ' PHE . 97.6 t -133.11 101.66 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 119.126 0.876 . . . . 0.0 110.319 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.31 99.49 6.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.01 141.18 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.59 106.69 9.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.18 174.31 13.46 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.29 -173.2 2.6 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.729 1.611 . . . . 0.0 108.976 172.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mt -138.07 101.11 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 120.495 -1.378 . . . . 0.0 109.802 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -133.46 -174.22 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 127.423 2.289 . . . . 0.0 107.659 169.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.27 3.36 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.121 -1.612 . . . . 0.0 115.23 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -83.66 -21.44 32.44 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.886 1.221 . . . . 0.0 111.298 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -125.36 -48.58 1.7 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.04 -164.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.3 p -50.73 -40.27 54.01 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.886 1.274 . . . . 0.0 109.93 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.6 m -48.34 -30.8 5.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.819 2.848 . . . . 0.0 113.381 171.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.5 -49.62 2.82 Favored 'General case' 0 C--O 1.226 -0.164 0 C-N-CA 125.993 1.717 . . . . 0.0 109.694 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tt -45.8 -33.87 3.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.833 1.253 . . . . 0.0 111.017 167.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -65.61 -60.56 2.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.626 1.103 . . . . 0.0 113.085 173.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -64.92 -21.86 66.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.372 0.533 . . . . 0.0 111.029 -169.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -86.42 -41.59 14.32 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.199 1.0 . . . . 0.0 108.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -60.88 -42.27 97.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.303 0.956 . . . . 0.0 112.144 171.048 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -65.72 -34.4 78.1 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.389 -0.82 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.49 -47.85 68.83 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.71 172.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 17' ' ' VAL . 1.6 t80 -45.36 -50.91 11.83 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 126.558 1.943 . . . . 0.0 109.388 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.472 HG21 ' HB3' ' A' ' 71' ' ' ASP . 3.0 mm -54.04 -48.28 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 112.149 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 t -67.93 -36.25 79.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.796 0.838 . . . . 0.0 111.06 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -97.06 2.21 51.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.18 0.992 . . . . 0.0 111.571 -166.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -114.2 124.96 53.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.72 1.208 . . . . 0.0 108.977 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.7 m -92.06 5.98 48.2 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.859 -1.151 . . . . 0.0 113.491 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 6.0 mmmm -78.35 127.36 32.11 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.737 -2.32 . . . . 0.0 104.737 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -68.77 -10.53 57.12 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.662 169.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 117.0 32.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.748 1.158 . . . . 0.0 108.895 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HE3' ' A' ' 77' ' ' LYS . 50.2 mm -115.74 117.6 56.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 128.241 2.616 . . . . 0.0 106.7 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -121.8 101.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.83 120.34 23.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.07 119.9 32.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.22 31.88 4.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.002 0.921 . . . . 0.0 109.54 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 t -64.73 -13.41 54.62 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.327 1.451 . . . . 0.0 111.941 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 t -106.5 -28.0 10.57 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.795 -1.19 . . . . 0.0 111.607 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 t -73.18 122.01 25.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -114.77 -34.31 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.387 0.675 . . . . 0.0 111.968 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -108.98 140.77 42.03 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.205 1.802 . . . . 0.0 108.669 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.2 ttm -149.72 107.64 3.71 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.665 1.186 . . . . 0.0 109.181 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 CA--C 1.534 0.343 0 O-C-N 123.823 0.702 . . . . 0.0 111.275 174.791 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.46 11.44 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 126.971 2.224 . . . . 0.0 113.926 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 91' ' ' ILE . 10.7 mt -64.3 -53.03 55.34 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.415 1.086 . . . . 0.0 109.638 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.25 -32.35 60.22 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-O 119.007 -0.885 . . . . 0.0 112.075 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.7 m -52.24 -53.94 37.4 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 118.936 1.368 . . . . 0.0 110.61 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.13 -30.21 70.87 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 110.51 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.21 -36.53 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.391 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -54.28 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.107 1.363 . . . . 0.0 107.924 171.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.703 HG21 HD12 ' A' ' 35' ' ' LEU . 3.7 mm -59.35 -38.17 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -173.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.22 -55.48 33.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.517 -0.739 . . . . 0.0 110.497 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -54.07 -38.68 65.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.139 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -70.81 -31.83 68.71 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.462 0.574 . . . . 0.0 111.468 178.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.44 69.1 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.272 1.029 . . . . 0.0 110.554 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.174 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.04 -57.05 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 119.438 1.017 . . . . 0.0 109.016 167.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.73 0.28 21.07 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.3 50.51 66.87 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 126.517 2.008 . . . . 0.0 111.648 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HE3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.78 167.18 16.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.151 0.98 . . . . 0.0 110.133 175.584 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.67 169.54 17.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.768 170.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.58 118.08 5.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.392 1.477 . . . . 0.0 107.462 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 56.2 mt -132.74 158.03 43.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 124.418 1.074 . . . . 0.0 109.426 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.455 HD12 HG13 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -119.32 171.83 8.04 Favored 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 123.335 0.654 . . . . 0.0 110.255 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.51 161.77 30.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.891 1.276 . . . . 0.0 109.475 -170.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 m 58.84 51.26 7.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.428 1.891 . . . . 0.0 112.881 174.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -73.72 114.66 12.24 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 131.017 3.727 . . . . 0.0 110.494 -176.155 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -74.51 159.9 31.63 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.779 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -56.19 -31.02 63.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.196 0.998 . . . . 0.0 111.857 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -74.37 0.13 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.078 0.951 . . . . 0.0 110.403 165.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mm -52.34 -55.07 11.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 125.239 1.416 . . . . 0.0 108.229 -166.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -40.87 -54.72 2.64 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.988 1.715 . . . . 0.0 109.356 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -61.73 -47.0 87.2 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.854 -1.154 . . . . 0.0 111.866 178.337 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.451 HG22 HD21 ' A' ' 62' ' ' LEU . 68.1 mt -58.62 -31.74 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.555 1.542 . . . . 0.0 110.42 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.409 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.9 mm? -69.59 -49.46 53.87 Favored 'General case' 0 C--O 1.232 0.143 0 O-C-N 120.605 -1.309 . . . . 0.0 108.326 173.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 3.0 mppt? -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mp -49.98 -69.9 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.861 1.665 . . . . 0.0 109.818 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -77.64 16.44 0.66 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.92 0.888 . . . . 0.0 110.27 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.47 35.63 18.16 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 127.358 2.263 . . . . 0.0 111.752 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.537 HD23 HD12 ' A' ' 100' ' ' ILE . 79.3 mt -73.38 -22.45 60.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.234 1.014 . . . . 0.0 110.578 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -69.95 -8.94 53.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 110.82 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -101.21 1.1 38.64 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.944 -1.723 . . . . 0.0 112.87 166.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.537 HD12 HD23 ' A' ' 97' ' ' LEU . 47.9 mt -106.75 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -92.92 12.21 24.62 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.782 1.233 . . . . 0.0 111.697 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.574 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 7.0 tttp 46.93 -153.7 0.06 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.16 0.984 . . . . 0.0 108.929 -169.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.574 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -171.55 163.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 127.553 2.341 . . . . 0.0 109.782 163.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.0 p -140.59 148.72 41.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.62 1.1 . . . . 0.0 109.916 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.6 -22.39 50.93 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.529 -0.732 . . . . 0.0 112.398 170.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.4 p -148.68 167.47 25.43 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.151 0.98 . . . . 0.0 110.606 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.67 -25.42 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 121.621 -0.674 . . . . 0.0 110.091 168.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.1 -8.62 55.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.792 1.237 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.02 -3.66 34.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.074 0.95 . . . . 0.0 112.378 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.575 -1.202 . . . . 0.0 112.945 -157.759 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.237 0.416 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -124.72 162.51 24.06 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 128.633 2.773 . . . . 0.0 109.672 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -149.46 100.2 2.98 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.423 1.489 . . . . 0.0 107.333 -171.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 47.9 t0 -83.35 72.76 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.85 117.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.4 t -128.97 135.62 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 126.543 1.937 . . . . 0.0 107.806 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -145.11 96.67 2.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.201 1.0 . . . . 0.0 109.789 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -131.55 -96.44 0.34 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.874 162.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -49.03 78.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 130.199 3.4 . . . . 0.0 113.549 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.256 1.1 m-20 24.68 44.13 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 130.227 3.411 . . . . 0.0 115.771 -164.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD3' HG21 ' A' ' 48' ' ' VAL . 12.2 ttmt -155.56 158.44 38.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.288 -1.507 . . . . 0.0 109.073 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.88 125.71 51.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 162.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -129.86 123.07 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -127.09 106.92 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -171.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 71.8 mtt180 -78.7 98.47 6.24 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.465 0.65 . . . . 0.0 111.139 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.54 127.28 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.967 1.707 . . . . 0.0 108.382 168.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -139.08 114.87 10.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.801 1.64 . . . . 0.0 107.288 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 143.64 169.66 12.84 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -79.22 158.95 27.52 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 164.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.8 mt -132.55 92.72 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.121 0.969 . . . . 0.0 108.429 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -125.16 -170.12 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 128.019 2.528 . . . . 0.0 108.053 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.89 -7.26 0.29 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 170.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.27 10.58 23.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.569 1.947 . . . . 0.0 111.248 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -152.89 -38.26 0.1 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 117.771 -1.109 . . . . 0.0 111.684 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 p -55.69 -37.79 68.81 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 119.922 1.237 . . . . 0.0 110.424 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.76 -40.16 54.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.115 1.766 . . . . 0.0 110.795 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.7 -51.27 5.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.179 1.392 . . . . 0.0 111.552 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -47.3 -35.43 7.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.03 1.332 . . . . 0.0 109.526 171.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -62.42 -59.87 4.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.754 0.707 . . . . 0.0 111.228 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.7 -22.12 60.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.15 -166.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.47 -36.65 29.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD13 HD21 ' A' ' 49' ' ' LEU . 18.3 mt -73.27 -32.18 64.52 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.217 0.607 . . . . 0.0 111.972 172.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -60.38 -52.28 65.93 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -43.98 80.68 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.727 0.694 . . . . 0.0 111.095 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.4 t80 -52.49 -55.55 21.26 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.507 1.523 . . . . 0.0 111.393 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.03 -24.76 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.218 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -65.74 -40.58 92.29 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.147 0.979 . . . . 0.0 111.001 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -91.4 -95.6 0.13 Allowed 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.282 9.0 t 40.16 -164.61 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.53 2.732 . . . . 0.0 112.711 -174.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.46 11.35 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.73 1.612 . . . . 0.0 111.455 168.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -119.88 144.96 47.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.38 1.872 . . . . 0.0 106.934 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.47 -10.5 48.87 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.2 112.49 24.5 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -174.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -107.44 123.72 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -174.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.425 HG21 ' HD3' ' A' ' 14' ' ' LYS . 99.1 t -112.51 96.87 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 17' ' ' VAL . 5.2 tp -79.32 104.04 9.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 3.4 t0 -91.76 113.04 25.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -171.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.599 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -109.67 37.36 2.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.304 0.956 . . . . 0.0 110.796 177.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.472 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 1.9 t -64.49 -17.08 63.53 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -119.42 -15.22 9.1 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -170.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.599 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 11.9 p -70.77 168.68 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 120.293 1.406 . . . . 0.0 109.754 160.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.7 m -147.63 -34.78 0.24 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.997 2.119 . . . . 0.0 109.942 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -90.65 125.82 35.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.093 1.357 . . . . 0.0 108.74 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.4 ttp -137.95 134.74 35.29 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 162.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 N--CA 1.45 -0.426 0 O-C-N 123.846 0.716 . . . . 0.0 111.88 168.529 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.95 -29.13 74.4 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 125.311 1.434 . . . . 0.0 112.344 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD13 HG22 ' A' ' 91' ' ' ILE . 22.3 tp -76.05 -55.53 5.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 117.659 0.729 . . . . 0.0 110.518 -173.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.83 -27.0 55.54 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 118.551 -1.138 . . . . 0.0 111.832 172.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.503 HG21 HD23 ' A' ' 31' ' ' LEU . 45.7 m -57.4 -45.5 84.49 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.492 1.646 . . . . 0.0 110.185 171.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.37 -31.21 70.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 122.17 2.259 . . . . 0.0 111.115 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.82 -28.64 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.206 0.602 . . . . 0.0 110.081 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.46 -51.87 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.111 -1.618 . . . . 0.0 109.253 164.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -58.43 -37.35 63.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.329 1.052 . . . . 0.0 109.231 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.1 -48.81 80.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-O 118.704 -0.665 . . . . 0.0 111.099 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -52.48 -39.35 61.08 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.524 0.602 . . . . 0.0 109.997 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -41.26 74.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.631 0.773 . . . . 0.0 111.473 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -53.04 56.41 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.211 0.914 . . . . 0.0 110.888 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -69.21 -34.14 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 117.362 -1.304 . . . . 0.0 111.336 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -56.02 -53.49 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.727 1.211 . . . . 0.0 110.238 168.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -75.0 -7.31 53.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.3 56.53 6.81 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 128.769 3.08 . . . . 0.0 111.977 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 177.45 7.97 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.909 0.855 . . . . 0.0 112.243 -175.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -79.76 -173.46 3.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.529 1.157 . . . . 0.0 107.897 169.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.98 124.12 0.43 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 129.99 3.316 . . . . 0.0 108.43 167.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 102' ' ' LYS . 34.2 mt -130.0 164.47 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.609 1.563 . . . . 0.0 108.159 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.18 177.53 4.69 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.764 0.826 . . . . 0.0 110.919 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.53 157.76 32.69 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.882 1.273 . . . . 0.0 112.694 -174.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m 68.25 44.23 1.41 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.267 2.227 . . . . 0.0 114.041 160.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.855 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -60.89 103.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 126.888 2.075 . . . . 0.0 113.025 -169.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 52' ' ' SER . 6.8 mmtt -72.06 76.97 0.94 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.98 2.512 . . . . 0.0 107.357 169.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 36.73 -77.85 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 129.208 3.003 . . . . 0.0 115.197 157.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -45.33 -61.86 1.5 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.233 1.813 . . . . 0.0 110.898 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 mm -52.42 -57.15 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 C-N-CA 126.693 1.997 . . . . 0.0 107.98 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 4.0 t -39.27 -55.53 1.68 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 108.777 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -55.41 -49.06 73.35 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.312 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.576 HG22 HD13 ' A' ' 62' ' ' LEU . 32.9 mt -62.28 -34.35 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 126.175 1.79 . . . . 0.0 109.197 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -51.69 64.25 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 169.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -59.67 -6.8 1.27 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 172.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.8 -68.75 0.62 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 121.072 1.76 . . . . 0.0 108.366 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.4 m -78.29 17.49 0.63 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.843 1.201 . . . . 0.0 113.012 -173.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 m170 57.35 30.62 18.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.043 -1.66 . . . . 0.0 110.851 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 62' ' ' LEU . 82.1 mt -66.1 -24.02 66.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.899 0.88 . . . . 0.0 110.969 -178.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -67.83 -6.43 21.45 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.759 2.424 . . . . 0.0 113.341 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -119.51 7.18 11.1 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.213 1.405 . . . . 0.0 111.824 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -106.46 -70.07 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -82.5 18.61 1.44 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.242 1.017 . . . . 0.0 110.502 174.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 80' ' ' ILE . 3.1 ttpp 44.2 -157.46 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.979 0.912 . . . . 0.0 109.567 -169.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -166.06 160.59 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.154 155.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -140.78 164.63 29.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.842 1.201 . . . . 0.0 108.336 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.81 -35.03 26.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.749 1.613 . . . . 0.0 109.551 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 p -135.8 156.18 49.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.243 0.545 . . . . 0.0 112.082 -172.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.47 -15.63 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.541 0.736 . . . . 0.0 111.572 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 -17.78 64.94 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.023 166.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -95.52 3.07 54.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.096 0.862 . . . . 0.0 112.434 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 CA-C-N 119.09 0.859 . . . . 0.0 111.945 -164.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HB2' HD22 ' A' ' 27' ' ' ASN . 3.0 tm? . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.126 0.489 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.82 158.38 42.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 126.591 1.956 . . . . 0.0 108.309 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -143.16 101.31 3.79 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 108.136 -170.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -98.12 83.76 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.47 0.481 . . . . 0.0 111.291 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.81 141.06 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.342 0.657 . . . . 0.0 109.532 -168.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.21 132.4 15.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 126.591 1.956 . . . . 0.0 108.382 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -133.73 90.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.627 0.771 . . . . 0.0 110.069 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -133.74 -43.51 0.82 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 110.842 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 60.69 2.31 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.359 1.076 . . . . 0.0 109.435 -171.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.3 OUTLIER 50.22 -16.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 1 C-N-CA 132.21 4.204 . . . . 0.0 117.924 -168.553 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 48.4 mttp -96.36 170.14 9.44 Favored 'General case' 0 CA--C 1.496 -1.111 0 C-N-CA 127.153 2.181 . . . . 0.0 109.785 -178.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.49 132.0 45.11 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.459 -2.155 . . . . 0.0 105.586 153.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -129.3 129.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 102.759 -3.052 . . . . 0.0 102.759 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.507 HG13 HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -141.82 110.32 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -170.305 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -73.53 102.93 3.98 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.72 130.51 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 162.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.42 124.83 23.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.35 -162.99 32.72 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-O 121.989 0.771 . . . . 0.0 112.008 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.17 106.93 9.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 102.741 -3.059 . . . . 0.0 102.741 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.91 96.06 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.86 -170.1 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 124.386 1.074 . . . . 0.0 108.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.09 -7.9 0.92 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.619 1.568 . . . . 0.0 114.286 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -79.2 -4.29 49.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.647 1.179 . . . . 0.0 112.872 168.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.628 HD22 ' HB2' ' A' ' 4' ' ' LEU . 3.2 m120 -146.53 -48.22 0.19 Allowed 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.637 -156.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 p -58.42 -7.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 112.76 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 t -77.34 -44.42 29.54 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.533 1.933 . . . . 0.0 110.452 168.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -111.95 -48.19 3.07 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.628 2.771 . . . . 0.0 111.137 -162.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tp -40.52 -43.4 1.84 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 120.218 1.372 . . . . 0.0 108.969 159.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -64.16 -52.8 57.28 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.594 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.24 -21.25 59.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.559 0.618 . . . . 0.0 111.005 -172.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -84.17 -35.53 23.5 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.7 mm? -62.59 -48.22 80.39 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.465 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -54.37 -47.98 72.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.33 0.968 . . . . 0.0 109.229 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -56.99 -56.73 17.96 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.19 0.596 . . . . 0.0 111.028 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.36 -52.11 23.24 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 126.733 2.013 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.5 -34.16 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -78.63 -16.18 57.65 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -112.77 -18.98 12.17 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.924 1.693 . . . . 0.0 113.452 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -66.34 -16.56 64.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -164.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 t 65.19 -28.92 0.11 Allowed 'General case' 0 CA--C 1.552 1.027 0 O-C-N 119.419 -2.05 . . . . 0.0 114.239 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -79.6 138.14 37.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.53 -1.981 . . . . 0.0 108.134 -175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -77.72 4.61 11.18 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.769 -1.207 . . . . 0.0 113.011 172.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.92 114.86 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -166.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.71 111.39 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.18 113.62 34.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 169.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 17' ' ' VAL . 6.9 tp -95.17 92.18 6.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.088 0.955 . . . . 0.0 109.719 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.57 119.73 28.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 126.322 1.849 . . . . 0.0 111.206 -168.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.462 ' HB3' HG12 ' A' ' 54' ' ' VAL . 9.3 mt -114.72 19.16 16.19 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.701 -1.249 . . . . 0.0 113.358 -165.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -58.12 -25.37 61.31 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.597 1.159 . . . . 0.0 113.25 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 -42.1 19.65 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 120.369 -1.457 . . . . 0.0 112.596 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG12 ' HB3' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.16 127.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -160.776 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -123.03 -3.07 8.6 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -166.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -136.95 147.41 46.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.1 ttm -162.04 102.44 1.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.611 1.964 . . . . 0.0 109.251 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 CA--C 1.537 0.459 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.985 179.644 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.21 68.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 126.654 2.073 . . . . 0.0 110.776 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 91' ' ' ILE . 20.4 tp -57.45 -54.21 49.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.943 0.897 . . . . 0.0 109.543 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -29.83 75.47 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.147 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.3 m -55.41 -51.65 66.17 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 118.224 1.012 . . . . 0.0 109.343 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.32 -32.45 71.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.475 1.489 . . . . 0.0 111.149 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.77 -35.05 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 121.983 -0.448 . . . . 0.0 110.15 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.05 -53.11 53.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.353 1.061 . . . . 0.0 108.693 167.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -57.9 -39.53 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -171.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.06 -52.8 63.85 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.8 -0.562 . . . . 0.0 111.402 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.12 -42.2 60.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.58 -40.99 98.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.654 0.781 . . . . 0.0 112.128 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.85 -55.68 27.75 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.556 1.142 . . . . 0.0 110.223 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -65.1 -39.85 93.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.087 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.21 -55.97 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 108.869 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 77' ' ' LYS . 12.2 m-80 -70.76 -10.43 59.48 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.9 55.74 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.958 1.742 . . . . 0.0 113.177 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -112.81 174.72 5.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.996 1.898 . . . . 0.0 111.331 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -104.21 144.98 30.87 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.477 1.111 . . . . 0.0 108.589 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -132.83 111.04 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.487 2.315 . . . . 0.0 107.248 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.9 mt -123.01 160.26 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 126.84 2.056 . . . . 0.0 109.126 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -120.29 164.53 16.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.84 158.81 44.22 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.05 0.94 . . . . 0.0 110.255 -171.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.6 m 60.62 47.91 7.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.242 1.817 . . . . 0.0 113.16 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -59.17 108.53 0.7 Allowed 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 130.301 3.44 . . . . 0.0 108.646 173.326 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -67.29 149.41 50.41 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 161.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.35 -48.26 62.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.629 0.649 . . . . 0.0 111.371 -167.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -53.02 -66.57 0.36 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.009 1.724 . . . . 0.0 110.791 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.52 -52.4 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.774 1.63 . . . . 0.0 108.744 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -44.57 -51.11 9.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.567 1.147 . . . . 0.0 108.614 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -50.27 64.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.504 1.922 . . . . 0.0 112.489 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.522 HG22 HD13 ' A' ' 62' ' ' LEU . 7.9 mt -60.35 -36.64 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.123 1.769 . . . . 0.0 110.094 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.83 -40.17 87.91 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.311 -1.493 . . . . 0.0 108.875 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -67.8 -25.09 65.42 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.22 -69.08 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 121.41 1.914 . . . . 0.0 110.655 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -81.47 15.52 2.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 122.834 0.454 . . . . 0.0 110.186 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.4 m80 50.76 39.45 22.05 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.053 1.741 . . . . 0.0 109.991 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 85.9 mt -74.13 -18.06 60.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.659 -0.651 . . . . 0.0 110.203 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.71 -10.93 6.05 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.1 -0.953 . . . . 0.0 113.492 170.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.13 -12.71 17.87 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.302 1.41 . . . . 0.0 113.485 166.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.85 -20.03 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 125.655 1.582 . . . . 0.0 110.467 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 3.6 m-85 -127.8 8.29 6.28 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.143 1.777 . . . . 0.0 112.354 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 14.1 tttp 49.16 -161.14 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -160.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.477 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -163.68 164.86 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 126.146 1.778 . . . . 0.0 108.303 152.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.8 p -138.9 153.53 48.28 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -51.66 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 p -142.75 177.0 8.62 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.004 0.521 . . . . 0.0 111.668 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.72 -18.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.691 0.797 . . . . 0.0 111.974 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.7 -19.06 47.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.038 0.935 . . . . 0.0 111.948 169.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 8.11 9.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.965 -0.459 . . . . 0.0 111.985 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.464 159.232 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -124.62 163.74 21.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.282 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -142.91 100.87 3.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 126.336 1.855 . . . . 0.0 107.827 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.83 73.7 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.63 -172.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -79.43 122.29 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.662 1.185 . . . . 0.0 108.68 -174.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.2 t -132.99 142.65 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.304 1.842 . . . . 0.0 108.341 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -133.31 33.1 3.61 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.739 0.815 . . . . 0.0 111.842 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.87 18.34 5.78 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 120.381 1.446 . . . . 0.0 113.519 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -136.97 29.44 2.82 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.2 -0.937 . . . . 0.0 111.481 -168.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.05 8.03 0.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.318 2.247 . . . . 0.0 114.342 -172.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD3' HG21 ' A' ' 48' ' ' VAL . 31.6 ttmt -137.78 158.87 43.47 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 130.388 3.475 . . . . 0.0 105.3 -175.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.75 112.14 23.8 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 127.047 2.139 . . . . 0.0 107.166 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.69 133.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -166.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -138.19 110.02 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -169.386 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -75.07 101.48 4.54 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.87 130.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.716 1.607 . . . . 0.0 109.264 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -145.88 60.5 1.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.758 1.223 . . . . 0.0 109.352 -162.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.37 123.77 0.81 Allowed Glycine 0 N--CA 1.471 1.025 0 C-N-CA 120.225 -0.988 . . . . 0.0 115.382 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.25 105.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 131.78 4.032 . . . . 0.0 113.153 -167.379 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mt -80.74 92.03 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 C-N-CA 124.572 1.149 . . . . 0.0 108.938 -162.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -129.77 -172.61 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.689 1.996 . . . . 0.0 106.444 168.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 -1.41 0.35 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.064 -1.647 . . . . 0.0 114.696 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -92.74 -1.06 57.13 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.667 1.587 . . . . 0.0 112.518 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -154.59 -33.11 0.1 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -53.67 -39.93 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.183 1.811 . . . . 0.0 108.552 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 m -63.24 -21.95 66.56 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.212 1.805 . . . . 0.0 114.831 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.4 -43.88 2.91 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.346 1.858 . . . . 0.0 109.029 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -39.18 2.37 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 120.264 -1.522 . . . . 0.0 109.136 163.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -66.23 -48.59 70.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 118.869 0.758 . . . . 0.0 112.82 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.26 -30.8 69.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.454 0.57 . . . . 0.0 110.442 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -83.18 -35.96 25.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.241 1.017 . . . . 0.0 108.556 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -67.25 -34.06 76.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.358 -0.839 . . . . 0.0 112.746 169.282 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -64.38 -47.35 79.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.138 1.335 . . . . 0.0 109.376 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -52.66 40.66 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.776 0.831 . . . . 0.0 109.702 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.7 t80 -48.99 -58.39 4.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.953 2.101 . . . . 0.0 109.424 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.418 HG21 ' HB3' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -58.68 -30.96 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 113.067 -176.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -80.39 -43.48 20.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.239 0.927 . . . . 0.0 110.765 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -83.26 -28.53 29.1 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.736 0.698 . . . . 0.0 109.898 -166.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -65.37 138.68 58.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -98.75 -12.19 21.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 111.448 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.39 147.73 30.9 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.337 -1.477 . . . . 0.0 107.839 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -91.85 12.59 21.04 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.65 104.61 8.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.936 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.89 136.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.481 HG21 ' HD3' ' A' ' 14' ' ' LYS . 57.8 t -131.24 100.46 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 127.272 2.229 . . . . 0.0 105.987 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 17' ' ' VAL . 8.9 tp -79.93 109.91 14.8 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -89.1 123.15 33.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -115.31 35.32 4.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.735 1.152 . . . . 0.0 111.572 175.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 t -60.74 -34.29 74.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.247 -0.908 . . . . 0.0 110.601 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m -98.21 -13.51 20.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 8.8 p -74.96 -170.96 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.383 0.992 . . . . 0.0 109.658 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.9 m -159.28 -41.81 0.06 Allowed 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.846 -1.159 . . . . 0.0 111.505 162.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -91.12 138.7 31.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.515 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 ttm -150.99 104.37 3.14 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 108.098 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t0 . . . . . 0 CA--C 1.536 0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 171.461 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.86 82.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 124.865 1.221 . . . . 0.0 113.507 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.0 tp -66.72 -53.12 36.74 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 124.301 1.04 . . . . 0.0 109.217 -175.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.74 73.45 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-O 117.452 -1.749 . . . . 0.0 112.109 173.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.6 m -56.17 -48.57 76.07 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.126 1.963 . . . . 0.0 109.757 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.2 -39.26 85.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.714 1.597 . . . . 0.0 111.254 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 t -64.11 -34.82 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.802 0.441 . . . . 0.0 110.113 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.79 -54.65 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.129 -0.982 . . . . 0.0 108.736 170.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.638 HG21 HD12 ' A' ' 35' ' ' LEU . 3.7 mm -57.73 -42.5 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 119.453 1.024 . . . . 0.0 109.607 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.8 -43.13 65.68 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.247 1.019 . . . . 0.0 111.518 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -55.65 -30.52 61.14 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 124.282 1.033 . . . . 0.0 111.069 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -88.32 -36.51 16.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.047 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.82 -54.99 7.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.298 1.408 . . . . 0.0 111.552 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -67.05 -37.91 84.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.75 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.08 -60.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 124.797 1.239 . . . . 0.0 108.452 168.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -71.39 0.29 8.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.896 0.878 . . . . 0.0 112.966 -173.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 26.66 32.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 127.254 2.359 . . . . 0.0 112.848 165.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -130.14 157.36 42.64 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.909 1.338 . . . . 0.0 113.22 -161.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -88.75 151.15 22.59 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.982 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -145.79 93.36 2.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.884 -159.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.0 mt -125.24 155.17 34.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 124.226 1.011 . . . . 0.0 110.345 -169.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.36 170.21 9.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 119.271 0.941 . . . . 0.0 109.374 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 161.91 27.49 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.862 0.865 . . . . 0.0 110.77 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.6 m 56.9 53.37 8.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.422 1.889 . . . . 0.0 113.341 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.46 117.03 10.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 130.272 3.429 . . . . 0.0 110.113 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -78.7 166.27 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.031 170.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -48.37 -56.67 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.136 1.335 . . . . 0.0 111.023 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 t -56.47 -65.52 0.59 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.55 0.74 . . . . 0.0 110.079 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.68 -55.73 14.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -171.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -43.86 -53.94 5.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.696 1.198 . . . . 0.0 108.906 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.97 -48.14 82.91 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.431 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 77.6 mt -56.63 -38.93 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.527 1.931 . . . . 0.0 110.27 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HG ' HD11 ' A' ' 103' ' ' ILE . 4.1 mm? -64.38 -41.36 96.73 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 120.334 -1.479 . . . . 0.0 108.946 175.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.34 -30.48 71.2 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 171.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 15.5 mt -53.78 -60.56 3.15 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 120.098 1.317 . . . . 0.0 111.691 -174.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -90.48 22.55 3.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.89 0.768 . . . . 0.0 110.385 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.77 35.0 2.82 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 126.37 1.868 . . . . 0.0 113.607 -175.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 100' ' ' ILE . 66.2 mt -62.72 -23.95 67.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.47 1.108 . . . . 0.0 110.345 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -58.26 -18.61 27.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.253 2.221 . . . . 0.0 115.31 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -101.67 -21.92 14.56 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.148 1.34 . . . . 0.0 111.593 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.548 HD12 HD23 ' A' ' 97' ' ' LEU . 49.6 mt -75.66 -44.84 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.4 m-85 -115.04 14.85 17.2 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 126.656 1.983 . . . . 0.0 111.925 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' HE2' HG22 ' A' ' 104' ' ' THR . 4.1 tttt 50.97 -162.03 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.285 0.634 . . . . 0.0 110.042 -171.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.446 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -165.16 161.17 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.951 1.7 . . . . 0.0 108.922 155.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.488 HG22 ' HE2' ' A' ' 102' ' ' LYS . 16.2 p -139.55 131.39 27.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -30.74 71.75 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.417 -1.313 . . . . 0.0 111.633 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.0 p -142.07 174.92 10.16 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 110.448 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -60.01 -31.95 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.64 0.776 . . . . 0.0 110.338 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.57 -22.42 65.39 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.419 0.554 . . . . 0.0 111.417 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -88.18 6.23 37.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.888 0.767 . . . . 0.0 111.806 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.87 -1.538 . . . . 0.0 113.789 -174.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.2 t30 53.07 51.25 16.13 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 122.813 1.292 . . . . 0.0 109.132 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.94 -53.68 5.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 113.488 -1.687 . . . . 0.0 108.264 -168.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.81 130.5 44.44 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -134.58 170.47 15.74 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.189 1.396 . . . . 0.0 110.625 174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 mt -141.71 130.63 23.08 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 126.222 1.809 . . . . 0.0 107.318 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 20.5 t0 -113.41 66.43 0.66 Allowed 'General case' 0 CA--C 1.538 0.491 0 O-C-N 124.045 0.841 . . . . 0.0 110.73 -173.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.7 mt -70.95 140.61 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 120.521 -1.362 . . . . 0.0 109.237 -173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.0 t -145.75 143.16 21.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 126.896 2.078 . . . . 0.0 106.862 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -131.45 -6.88 3.73 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.11 1.364 . . . . 0.0 113.293 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.16 1.46 11.19 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -157.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -126.94 24.13 6.48 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.698 2.399 . . . . 0.0 110.225 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 44' ' ' LYS 0.374 7.0 m-20 78.17 18.93 1.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 127.444 2.297 . . . . 0.0 115.327 173.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.69 126.2 17.78 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 125.044 1.338 . . . . 0.0 107.884 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.16 80.87 5.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.472 1.109 . . . . 0.0 108.691 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.5 mt -88.45 132.74 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG13 HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -136.92 104.0 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 10.1 mtp180 -77.21 104.25 7.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.8 136.31 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -122.54 95.58 4.69 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 125.674 1.59 . . . . 0.0 107.299 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.5 164.05 11.87 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.119 -1.193 . . . . 0.0 110.119 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -92.1 173.45 7.83 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.633 1.173 . . . . 0.0 109.08 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.514 HD12 HG11 ' A' ' 54' ' ' VAL . 97.9 mt -135.9 96.22 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.402 -0.811 . . . . 0.0 109.553 -166.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -119.19 -166.83 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.797 1.639 . . . . 0.0 107.823 160.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 -9.84 4.5 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -84.62 -16.31 42.46 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 120.837 1.653 . . . . 0.0 111.315 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -133.07 -40.26 0.93 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.386 -166.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 p -53.43 -36.23 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.005 1.275 . . . . 0.0 109.759 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -33.74 19.33 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.755 2.022 . . . . 0.0 111.714 174.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.48 -52.69 2.77 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 125.694 1.598 . . . . 0.0 108.812 -164.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.446 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -42.82 -37.36 1.77 Allowed 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 125.223 1.409 . . . . 0.0 110.831 165.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -64.53 -57.59 8.75 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 120.042 1.292 . . . . 0.0 112.618 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -72.17 -21.16 61.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.32 -0.238 . . . . 0.0 111.314 -167.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -86.39 -37.23 18.59 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.935 1.294 . . . . 0.0 108.085 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 19.5 mt -68.18 -37.06 80.55 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.106 172.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -64.1 -32.47 74.05 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 120.935 -1.103 . . . . 0.0 111.65 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.86 -54.05 44.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.902 0.774 . . . . 0.0 109.807 168.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.9 t80 -49.24 -47.97 46.05 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 127.211 2.204 . . . . 0.0 111.176 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.07 -35.41 47.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.623 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -80.46 -44.09 19.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.59 1.156 . . . . 0.0 110.381 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.6 p -69.1 -36.69 77.82 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.169 0.895 . . . . 0.0 110.427 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 t -74.77 127.06 32.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.938 -0.476 . . . . 0.0 109.945 -169.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -88.98 -13.3 39.23 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.485 -0.759 . . . . 0.0 111.704 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 13.0 mmmt -79.37 132.0 36.28 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -18.57 64.8 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.563 174.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 104.17 14.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 119.146 0.885 . . . . 0.0 108.987 -171.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -99.37 133.09 43.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 127.561 2.345 . . . . 0.0 107.459 176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -130.39 96.26 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 HG13 ' A' ' 17' ' ' VAL . 12.6 tp -81.53 90.76 6.27 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 113.56 -1.654 . . . . 0.0 107.292 -175.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 82' ' ' SER . 12.1 m-20 -79.17 106.17 11.02 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -172.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.84 21.85 1.81 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.931 -1.106 . . . . 0.0 113.578 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -59.44 -5.87 0.91 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.41 -10.64 9.26 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.055 1.742 . . . . 0.0 112.194 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 23' ' ' ILE . 3.5 t -82.23 149.03 4.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 173.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.61 -46.56 0.32 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.754 0.822 . . . . 0.0 109.694 177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -96.31 137.73 34.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.0 ttp -146.18 112.0 5.64 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.274 1.429 . . . . 0.0 109.634 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.87 178.42 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.383 1.473 . . . . 0.0 111.23 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.37 70.35 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.823 -1.173 . . . . 0.0 112.008 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -74.35 -38.6 45.19 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 123.556 0.598 . . . . 0.0 111.697 175.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.71 -55.57 31.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.43 -33.29 65.82 Favored Glycine 0 C--N 1.335 0.506 0 CA-C-O 119.092 -0.838 . . . . 0.0 111.402 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.446 HG21 HD23 ' A' ' 31' ' ' LEU . 98.3 m -57.71 -49.01 77.97 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.619 1.209 . . . . 0.0 110.445 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -59.75 -35.92 75.57 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 121.229 1.831 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.42 -36.39 77.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-O 118.947 -0.549 . . . . 0.0 110.756 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.0 t -58.35 -53.94 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 124.192 0.997 . . . . 0.0 109.336 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.75 -40.82 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 124.507 1.123 . . . . 0.0 109.45 -172.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.48 -53.71 54.29 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.524 0.678 . . . . 0.0 110.501 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.05 -34.89 70.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 119.135 -0.46 . . . . 0.0 111.396 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -33.81 71.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.245 0.475 . . . . 0.0 111.221 173.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.46 79.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.289 1.035 . . . . 0.0 110.94 172.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -69.05 -36.63 77.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.999 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.6 mt -50.13 -53.69 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 119.268 0.94 . . . . 0.0 108.817 164.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.38 0.33 14.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.52 40.75 99.08 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 125.493 1.52 . . . . 0.0 111.717 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -128.35 171.52 11.95 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 118.316 1.058 . . . . 0.0 112.246 -174.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -81.66 164.46 21.8 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -145.17 120.85 10.49 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 102' ' ' LYS . 6.0 mt -133.71 151.75 33.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.59 166.15 15.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' A' ' 50' ' ' ASP . 28.4 t -147.82 161.31 41.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.286 1.434 . . . . 0.0 110.107 -169.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m 69.95 42.1 1.06 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.995 1.318 . . . . 0.0 114.379 160.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.604 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -67.88 107.96 2.83 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 130.451 3.5 . . . . 0.0 113.052 -176.195 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -65.68 162.58 18.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.29 1.436 . . . . 0.0 110.093 169.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -52.4 -46.7 66.41 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.915 1.689 . . . . 0.0 111.062 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -77.05 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 125.773 1.629 . . . . 0.0 109.295 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.5 mm -46.7 -49.82 6.22 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 126.944 2.098 . . . . 0.0 109.663 -172.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -52.99 -55.08 26.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.988 1.315 . . . . 0.0 109.185 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -46.02 63.52 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 121.776 -0.578 . . . . 0.0 109.934 176.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.669 ' C ' HD12 ' A' ' 94' ' ' LEU . 8.5 mt -77.37 15.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 126.649 1.98 . . . . 0.0 110.598 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 103' ' ' ILE . 4.8 mt -114.28 -40.36 3.68 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 119.58 -1.95 . . . . 0.0 107.179 168.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -23.21 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.317 -0.864 . . . . 0.0 112.018 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.669 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -59.41 -24.04 63.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.374 2.269 . . . . 0.0 113.876 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.503 ' N ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -128.39 25.36 5.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.806 0.842 . . . . 0.0 111.99 171.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.7 m80 58.81 20.95 8.47 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.093 -1.005 . . . . 0.0 112.196 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.534 HD23 HD12 ' A' ' 100' ' ' ILE . 85.7 mt -65.27 -22.78 66.9 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 120.988 -1.07 . . . . 0.0 109.509 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.07 -17.22 62.04 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.734 1.214 . . . . 0.0 113.166 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -94.88 -13.42 25.49 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.905 1.229 . . . . 0.0 112.96 167.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.534 HD12 HD23 ' A' ' 97' ' ' LEU . 40.9 mt -90.49 -42.09 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.466 1.106 . . . . 0.0 108.933 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.2 m-85 -115.78 19.99 14.85 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 126.131 1.772 . . . . 0.0 110.413 -177.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HB3' HG23 ' A' ' 80' ' ' ILE . 4.1 ttpp 47.16 -161.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.717 0.689 . . . . 0.0 109.958 -163.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.649 HD11 HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -163.55 163.29 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 125.41 1.484 . . . . 0.0 108.245 150.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.456 HG21 ' HA ' ' A' ' 110' ' ' ALA . 60.9 p -136.21 145.2 45.43 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -53.15 24.09 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.5 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -138.27 -179.3 5.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.636 0.774 . . . . 0.0 111.726 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.1 p -61.02 -21.08 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.087 0.555 . . . . 0.0 111.337 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.53 -12.79 61.55 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.158 -0.964 . . . . 0.0 112.217 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -101.17 -10.92 19.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.863 1.211 . . . . 0.0 112.507 168.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.456 ' HA ' HG21 ' A' ' 104' ' ' THR . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.149 -1.882 . . . . 0.0 114.158 -160.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -164.34 145.27 8.23 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 105.704 -1.962 . . . . 0.0 105.704 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -147.74 -67.5 0.25 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.024 0.93 . . . . 0.0 108.643 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.87 145.83 53.35 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -140.4 171.62 13.89 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.834 2.054 . . . . 0.0 109.762 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.0 mt -147.68 125.75 12.11 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 126.647 1.979 . . . . 0.0 106.949 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.25 88.26 2.77 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 109.894 177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.76 118.25 25.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 125.426 1.49 . . . . 0.0 108.281 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 t -130.76 143.94 39.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 126.144 1.777 . . . . 0.0 108.25 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.72 -118.27 0.25 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 54.39 -176.48 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.625 1.97 . . . . 0.0 110.855 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 33.95 -99.24 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.625 1.97 . . . . 0.0 110.358 -153.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 3.3 p30 -146.16 -1.89 0.72 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 164.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD3' HG21 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -81.25 160.06 24.35 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 122.102 2.228 . . . . 0.0 108.62 173.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.18 123.34 49.36 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 127.352 2.261 . . . . 0.0 106.75 160.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.1 mt -126.36 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -128.55 112.32 26.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -78.22 97.19 5.44 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 123.612 0.765 . . . . 0.0 109.231 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.4 t -59.18 142.57 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 166.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.76 106.69 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.82 -177.89 20.17 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -172.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -115.74 176.11 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.818 2.047 . . . . 0.0 107.681 175.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 85.4 mt -137.3 104.83 3.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 O-C-N 120.866 -1.146 . . . . 0.0 109.707 -166.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -137.7 -165.87 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 127.89 2.476 . . . . 0.0 107.822 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.76 -12.23 52.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 119.841 -1.787 . . . . 0.0 115.339 175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.22 -36.08 47.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 120.401 1.455 . . . . 0.0 109.849 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -112.82 -40.64 3.96 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.844 -159.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.2 p -55.94 -39.09 71.19 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 119.936 1.244 . . . . 0.0 109.46 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.5 m -37.98 -46.09 0.95 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.23 2.612 . . . . 0.0 113.167 163.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.53 -43.53 6.83 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 121.345 1.884 . . . . 0.0 112.27 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.04 -26.53 27.06 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 120.642 -1.286 . . . . 0.0 111.294 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -66.93 -65.59 0.66 Allowed 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 119.164 0.893 . . . . 0.0 110.656 168.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.58 -20.78 66.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 118.774 0.715 . . . . 0.0 111.793 -164.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -85.77 -38.19 18.48 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.727 0.811 . . . . 0.0 109.516 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.492 HD12 HG21 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -62.25 -43.62 98.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.071 0.85 . . . . 0.0 111.653 168.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -35.61 71.45 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.392 1.477 . . . . 0.0 109.026 175.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -67.67 -60.57 2.44 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 123.154 0.582 . . . . 0.0 110.829 169.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.1 t80 -47.52 -44.72 25.95 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 128.3 2.64 . . . . 0.0 112.04 -172.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -72.47 -22.3 20.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 119.043 -0.503 . . . . 0.0 111.452 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -72.46 -32.2 66.06 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-O 117.888 -1.053 . . . . 0.0 111.023 162.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.55 -20.62 26.21 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.808 1.64 . . . . 0.0 113.209 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.495 HG23 ' HE2' ' A' ' 77' ' ' LYS . 12.0 t -88.19 109.49 19.95 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.643 1.11 . . . . 0.0 113.336 -165.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.0 m -68.87 -2.56 9.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.745 1.618 . . . . 0.0 114.771 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 8.2 mmmm -93.45 128.23 39.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -75.97 -6.51 51.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.564 -0.731 . . . . 0.0 111.317 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 119.96 39.05 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.053 2.141 . . . . 0.0 106.965 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.75 128.21 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 -175.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG21 ' HD3' ' A' ' 14' ' ' LYS . 85.1 t -127.48 97.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 125.853 1.661 . . . . 0.0 106.8 -174.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 17' ' ' VAL . 11.6 tp -79.83 101.93 8.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.326 -176.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -81.94 118.79 23.24 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.717 0.69 . . . . 0.0 110.882 -173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.2 mt -105.88 16.09 25.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.252 2.221 . . . . 0.0 112.279 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 8.5 t -58.82 -19.33 40.4 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.071 1.748 . . . . 0.0 114.053 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -92.48 -41.8 10.08 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.466 1.507 . . . . 0.0 110.142 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.3 t -64.35 115.42 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.314 1.046 . . . . 0.0 109.802 -162.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -95.86 -14.38 23.24 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.316 1.046 . . . . 0.0 112.307 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -154.12 140.32 18.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.918 0.781 . . . . 0.0 110.772 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.9 ttm -138.61 119.2 13.94 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.842 1.657 . . . . 0.0 109.115 174.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -84.04 176.36 8.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.277 0.561 . . . . 0.0 111.061 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.19 75.09 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 123.897 0.879 . . . . 0.0 112.026 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -44.4 93.51 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 125.159 1.361 . . . . 0.0 111.666 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.455 HD21 HG22 ' A' ' 91' ' ' ILE . 6.1 mt -59.56 -51.63 69.03 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.787 0.835 . . . . 0.0 109.407 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.02 -27.46 72.3 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.701 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.8 m -59.4 -46.91 87.38 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 118.321 1.061 . . . . 0.0 109.011 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.46 -33.4 69.71 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 120.696 1.589 . . . . 0.0 111.931 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.74 -33.92 62.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.162 -0.961 . . . . 0.0 110.542 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.05 -53.58 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 108.621 170.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.492 HG21 HD12 ' A' ' 35' ' ' LEU . 1.5 mm -51.77 -40.87 28.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 125.461 1.504 . . . . 0.0 109.414 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.405 HD21 ' HE3' ' A' ' 73' ' ' LYS . 2.8 tm? -62.28 -54.38 41.49 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.302 -0.874 . . . . 0.0 112.358 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -40.34 19.84 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.125 174.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -44.67 91.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.936 0.894 . . . . 0.0 112.003 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.83 60.42 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 125.225 1.41 . . . . 0.0 110.615 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HE3' HD21 ' A' ' 69' ' ' LEU . 5.7 mmtp -70.87 -33.78 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.507 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.4 mt -53.67 -61.18 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.053 0.941 . . . . 0.0 108.658 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -72.37 -6.49 43.79 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.211 1.004 . . . . 0.0 112.528 -174.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.45 58.73 7.47 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 127.117 2.294 . . . . 0.0 113.432 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' HE2' HG23 ' A' ' 42' ' ' THR . 0.7 OUTLIER -146.17 171.03 15.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 119.094 1.447 . . . . 0.0 113.184 177.291 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -101.78 97.55 7.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.623 1.569 . . . . 0.0 108.707 -169.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -85.65 120.19 26.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.22 0.608 . . . . 0.0 109.8 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 19.4 mt -130.46 160.29 41.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.471 1.909 . . . . 0.0 108.214 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -120.27 169.98 9.77 Favored 'General case' 0 CA--C 1.513 -0.461 0 O-C-N 121.571 -0.706 . . . . 0.0 110.325 177.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 104' ' ' THR . 40.6 t -156.09 162.39 40.27 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.941 0.496 . . . . 0.0 111.86 -167.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 m 60.53 43.9 12.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.043 1.737 . . . . 0.0 114.738 167.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -60.88 102.21 0.18 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 128.591 2.756 . . . . 0.0 111.78 -174.174 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 52' ' ' SER . 14.8 mttm -67.12 164.39 18.1 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.128 168.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -29.85 69.87 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -165.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -70.73 -68.91 0.4 Allowed 'General case' 0 C--N 1.341 0.226 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.49 -58.74 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 125.912 1.685 . . . . 0.0 108.434 -169.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.7 t -31.34 -68.59 0.08 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.542 1.537 . . . . 0.0 111.044 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -40.87 65.11 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 125.683 1.593 . . . . 0.0 111.578 -176.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.455 HG22 HD21 ' A' ' 62' ' ' LEU . 78.3 mt -67.13 -36.92 78.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 126.529 1.932 . . . . 0.0 109.278 -174.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -63.25 -43.86 96.81 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 120.941 -1.1 . . . . 0.0 108.846 173.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -19.52 64.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.6 -62.05 2.08 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.378 1.899 . . . . 0.0 109.456 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 7.02 3.56 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.685 1.594 . . . . 0.0 112.542 177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.0 m80 49.87 35.13 8.78 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.814 1.645 . . . . 0.0 112.909 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD23 HD12 ' A' ' 100' ' ' ILE . 95.1 mt -74.56 -19.43 60.34 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.705 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -64.46 -8.56 14.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 127.696 2.398 . . . . 0.0 114.595 -178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -107.53 -10.01 15.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.653 1.181 . . . . 0.0 112.831 169.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.429 HD12 HD23 ' A' ' 97' ' ' LEU . 83.3 mt -95.1 -59.5 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -90.16 18.68 5.68 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.245 1.018 . . . . 0.0 111.258 175.298 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.505 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 8.7 ttpp 47.81 -155.98 0.06 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 121.323 -0.861 . . . . 0.0 109.849 -169.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.519 HG12 HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -171.48 156.69 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 126.394 1.878 . . . . 0.0 109.03 159.293 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.505 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 62.0 p -149.02 104.07 3.4 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -175.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.26 -25.49 67.87 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.073 -1.017 . . . . 0.0 111.8 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.7 p -133.84 153.73 51.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.984 1.714 . . . . 0.0 109.395 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.35 -27.14 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.585 -0.697 . . . . 0.0 111.28 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.58 -16.55 62.3 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.468 1.107 . . . . 0.0 111.36 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -81.96 -10.46 59.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.427 1.012 . . . . 0.0 112.072 173.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.161 1.384 . . . . 0.0 111.125 177.129 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtm . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -153.31 108.8 3.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.206 1.002 . . . . 0.0 109.468 169.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -77.29 159.71 29.38 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.733 -0.604 . . . . 0.0 109.533 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.34 135.6 38.65 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.032 1.333 . . . . 0.0 110.296 172.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -133.05 162.25 32.22 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.699 0.799 . . . . 0.0 110.789 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD22 HG11 ' A' ' 17' ' ' VAL . 61.7 mt -143.56 103.22 4.06 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.127 1.771 . . . . 0.0 107.903 -169.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.52 84.35 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.9 mt -78.73 126.45 38.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.28 126.1 39.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 122.788 0.435 . . . . 0.0 109.827 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.98 31.04 1.6 Allowed 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.926 2.091 . . . . 0.0 112.693 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -72.24 -4.88 32.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.471 1.509 . . . . 0.0 114.537 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 -83.12 0.6 Allowed 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -161.28 -2.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 124.058 0.943 . . . . 0.0 113.146 -160.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -147.41 125.43 12.07 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 120.046 1.294 . . . . 0.0 108.886 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.89 87.91 5.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.044 1.338 . . . . 0.0 109.326 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -77.08 152.8 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.609 ' HB ' HD12 ' A' ' 49' ' ' LEU . 3.9 t -133.01 114.45 21.73 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 166.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.7 mtp85 -85.27 97.44 9.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.24 132.99 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 -176.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -121.28 16.9 11.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 116.675 2.102 . . . . 0.0 116.675 -157.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.85 167.87 40.8 Favored Glycine 0 C--N 1.316 -0.578 0 O-C-N 121.011 -1.056 . . . . 0.0 111.256 -172.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -74.0 176.55 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.317 0.647 . . . . 0.0 110.108 -170.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.485 HD12 HG11 ' A' ' 54' ' ' VAL . 90.3 mt -134.45 60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.71 -179.42 6.89 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 119.765 -1.834 . . . . 0.0 108.751 166.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.93 -10.83 10.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 120.65 -1.282 . . . . 0.0 113.689 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.52 -20.01 44.54 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.865 0.866 . . . . 0.0 111.878 173.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -127.93 -44.02 1.49 Allowed 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 124.515 1.126 . . . . 0.0 110.734 -163.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 p -50.25 -47.37 55.16 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 125.31 1.444 . . . . 0.0 109.436 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.73 -40.79 6.29 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 127.265 2.226 . . . . 0.0 113.615 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -93.95 -44.78 7.91 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 120.256 1.389 . . . . 0.0 110.97 -177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.61 HD23 HG21 ' A' ' 64' ' ' THR 0.253 0.4 OUTLIER -48.15 -34.78 10.43 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.585 1.154 . . . . 0.0 109.842 166.41 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HG3' HG23 ' A' ' 64' ' ' THR . 12.2 ttpt -68.12 -59.29 3.35 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.111 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.85 -0.86 6.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 120.047 1.294 . . . . 0.0 113.89 -172.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -109.93 -40.78 4.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.15 1.78 . . . . 0.0 109.381 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.23 -31.64 71.27 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 120.396 -1.44 . . . . 0.0 111.376 172.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -67.0 -12.35 59.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.027 1.331 . . . . 0.0 111.477 169.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' HG22 ' A' ' 41' ' ' THR . 4.2 m-20 -93.56 -55.43 3.28 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 121.149 -0.969 . . . . 0.0 110.377 170.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CE2' HG21 ' A' ' 17' ' ' VAL . 2.8 t80 -35.87 -60.05 0.55 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 128.816 2.846 . . . . 0.0 110.9 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 mt -64.84 -27.2 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -85.31 -4.83 59.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.943 2.097 . . . . 0.0 112.102 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 37' ' ' ASN . 5.1 t -144.94 43.12 1.33 Allowed 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.637 1.562 . . . . 0.0 111.71 -169.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.2 t -133.65 -13.58 2.57 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.073 -1.642 . . . . 0.0 114.637 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t 60.35 -22.61 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.167 2.187 . . . . 0.0 115.718 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -78.48 128.57 33.76 Favored 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 119.751 -1.843 . . . . 0.0 106.979 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -66.78 -17.02 64.66 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.419 168.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 117.53 31.17 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 119.63 1.104 . . . . 0.0 109.572 -174.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.0 134.54 56.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 C-N-CA 129.173 2.989 . . . . 0.0 107.417 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -136.32 93.88 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 128.286 2.634 . . . . 0.0 108.226 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.609 HD12 ' HB ' ' A' ' 17' ' ' VAL . 9.2 tp -79.91 102.05 8.95 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.17 101.74 12.72 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 126.133 1.773 . . . . 0.0 109.04 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.71 18.02 5.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 3.3 t -60.1 -19.05 51.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 121.312 1.869 . . . . 0.0 115.424 -169.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -84.78 -40.36 17.31 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.694 1.133 . . . . 0.0 109.163 175.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.485 HG11 HD12 ' A' ' 23' ' ' ILE . 7.2 t -66.27 131.82 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 108.124 -166.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.59 -51.02 2.07 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.112 1.765 . . . . 0.0 109.584 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -99.49 142.49 30.9 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.4 ttm -146.15 115.5 7.1 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.878 1.671 . . . . 0.0 107.61 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.55 179.21 7.6 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 0.0 112.065 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.61 -36.35 76.13 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.8 -53.14 43.22 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 124.681 1.134 . . . . 0.0 113.676 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 97' ' ' LEU . 19.2 tp -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.242 1.021 . . . . 0.0 109.722 -169.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.83 -14.12 78.42 Favored Glycine 0 N--CA 1.441 -0.986 0 CA-C-O 117.507 -1.719 . . . . 0.0 113.826 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.61 HG21 HD23 ' A' ' 31' ' ' LEU . 54.2 m -66.52 -45.23 80.17 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 120.135 1.968 . . . . 0.0 108.599 168.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.42 -29.56 69.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 120.887 1.676 . . . . 0.0 111.205 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -66.95 -39.91 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 124.298 1.039 . . . . 0.0 110.657 173.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.7 t -58.93 -47.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 120.568 -1.333 . . . . 0.0 109.944 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.64 -38.69 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.806 0.842 . . . . 0.0 109.354 -175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.38 -53.05 62.71 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 119.263 -0.398 . . . . 0.0 110.033 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -51.75 -41.65 61.73 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -35.84 80.02 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.84 66.01 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 123.467 0.707 . . . . 0.0 110.17 170.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -31.2 62.73 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 117.749 -1.119 . . . . 0.0 112.005 -175.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.2 mt -51.81 -57.6 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.098 1.359 . . . . 0.0 108.675 165.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -74.37 -9.6 58.76 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.341 0.656 . . . . 0.0 112.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.6 36.04 49.85 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.763 1.649 . . . . 0.0 115.013 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -123.47 -174.72 3.03 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 121.155 2.477 . . . . 0.0 113.51 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.86 163.89 12.61 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.406 1.483 . . . . 0.0 108.502 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -156.08 110.31 2.81 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.897 1.679 . . . . 0.0 108.026 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 102' ' ' LYS . 9.4 mt -128.13 149.28 32.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.012 -173.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 HG13 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -107.57 170.6 7.88 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 178.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -168.59 157.01 8.36 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 -159.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 7.0 m 51.75 47.99 23.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.632 1.573 . . . . 0.0 113.404 174.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD21 HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -54.6 133.71 46.58 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 128.964 2.906 . . . . 0.0 110.086 177.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -87.81 159.19 18.52 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 116.94 -1.505 . . . . 0.0 109.429 162.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -49.47 -43.42 45.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.372 1.442 . . . . 0.0 111.694 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -68.48 0.36 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.645 1.178 . . . . 0.0 109.103 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.495 ' HA ' HD12 ' A' ' 91' ' ' ILE . 23.3 mm -47.69 -58.67 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 127.732 2.413 . . . . 0.0 109.336 -176.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -38.87 -60.32 0.86 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.654 1.581 . . . . 0.0 110.97 174.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 5.1 ttm180 -59.15 -50.65 73.23 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.854 -172.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 88' ' ' ILE . 13.6 mt -51.56 -34.41 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.117 1.767 . . . . 0.0 109.923 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.59 -45.31 65.6 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.015 -1.053 . . . . 0.0 109.252 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -66.71 -18.11 65.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.82 -63.9 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 120.851 1.66 . . . . 0.0 110.761 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -81.11 22.43 0.64 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 118.641 0.655 . . . . 0.0 111.052 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m170 38.78 42.27 0.6 Allowed 'General case' 0 C--N 1.344 0.348 0 C-N-CA 127.017 2.127 . . . . 0.0 113.738 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 62' ' ' LEU . 84.2 mt -66.29 -24.4 66.55 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 123.787 0.835 . . . . 0.0 109.649 176.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.84 -14.03 57.98 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.469 1.908 . . . . 0.0 114.386 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -111.99 8.85 20.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.566 0.746 . . . . 0.0 111.987 171.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.457 HD12 HD23 ' A' ' 97' ' ' LEU . 31.2 mt -105.72 -67.73 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 172.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.65 11.79 3.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.272 2.229 . . . . 0.0 112.74 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' HB3' HG23 ' A' ' 80' ' ' ILE . 1.7 ttpp 51.76 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.131 0.973 . . . . 0.0 110.484 -170.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.606 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -165.95 156.24 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 123.935 0.894 . . . . 0.0 110.036 161.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 82.5 p -137.29 146.39 44.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -46.19 67.75 Favored 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 121.192 -0.943 . . . . 0.0 109.386 168.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 74.4 p -141.03 164.81 29.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.23 1.812 . . . . 0.0 109.354 -173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.45 HG22 ' H ' ' A' ' 107' ' ' VAL . 0.1 OUTLIER -44.13 -36.46 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 C-N-CA 127.43 2.292 . . . . 0.0 111.8 170.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.72 -27.64 68.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 123.661 0.6 . . . . 0.0 110.81 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -88.04 -0.63 57.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.975 0.51 . . . . 0.0 111.78 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.376 1.07 . . . . 0.0 111.5 -177.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -144.3 -177.99 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.964 1.305 . . . . 0.0 107.64 166.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 m120 52.9 -175.01 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.891 1.276 . . . . 0.0 112.391 -172.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tt -94.14 139.97 30.33 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 120.951 -1.093 . . . . 0.0 109.264 170.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.99 173.02 12.02 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.155 1.782 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.501 HD22 HG11 ' A' ' 17' ' ' VAL . 24.4 mt -142.43 141.44 32.21 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 127.242 2.217 . . . . 0.0 105.115 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.78 84.8 2.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.4 mt -76.67 131.24 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 126.857 2.063 . . . . 0.0 106.937 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -138.06 133.82 44.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 118.885 0.766 . . . . 0.0 109.535 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 96.8 mt-10 -128.27 100.3 5.77 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.91 0.884 . . . . 0.0 109.37 -176.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -131.51 -87.21 0.48 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.645 0.657 . . . . 0.0 111.034 -169.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.28 83.48 0.37 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 163.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.5 OUTLIER 40.87 -5.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.245 1 C-N-CA 133.81 4.844 . . . . 0.0 119.161 171.398 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.615 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 4.7 mttp -88.07 168.27 12.95 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 130.03 3.332 . . . . 0.0 108.596 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . . . -117.55 87.87 2.8 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 128.822 2.849 . . . . 0.0 108.419 159.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.75 152.45 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG11 HD22 ' A' ' 6' ' ' LEU . 6.4 t -133.02 122.12 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.003 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 158.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -80.43 98.63 7.6 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 170.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.3 t -77.87 135.15 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -135.5 87.11 2.29 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.535 0.734 . . . . 0.0 110.353 -163.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.2 177.34 33.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.47 122.75 48.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 105.496 -2.039 . . . . 0.0 105.496 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.38 164.09 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -172.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 p30 168.44 179.95 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 131.344 3.858 . . . . 0.0 105.836 168.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.96 4.09 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.549 1.522 . . . . 0.0 113.491 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -6.28 57.78 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.652 1.181 . . . . 0.0 113.161 176.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -137.17 -32.57 0.78 Allowed 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 126.081 1.752 . . . . 0.0 113.489 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.0 p -59.95 -33.39 71.85 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 121.198 1.817 . . . . 0.0 109.58 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -57.71 7.94 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 130.613 3.565 . . . . 0.0 110.265 169.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -84.11 -43.86 14.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.039 0.836 . . . . 0.0 111.503 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -53.54 -29.23 35.81 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 117.049 -1.453 . . . . 0.0 109.994 171.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HA ' HG23 ' A' ' 64' ' ' THR . 5.3 ttpt -63.81 -60.61 3.06 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.901 1.682 . . . . 0.0 111.882 170.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.401 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 10.3 pt-20 -73.66 -25.72 60.41 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.119 -0.632 . . . . 0.0 111.284 -163.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -75.63 -38.64 58.77 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -64.9 -40.68 95.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 172.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -62.04 -45.63 92.7 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.135 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.55 -47.86 82.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 118.837 0.744 . . . . 0.0 110.959 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -49.97 -45.11 51.17 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.371 1.868 . . . . 0.0 110.187 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.497 ' HA ' HG22 ' A' ' 42' ' ' THR . 4.9 mm -64.68 -33.27 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 O-C-N 121.66 -0.65 . . . . 0.0 111.687 179.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -80.85 -10.31 59.73 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.076 0.95 . . . . 0.0 112.83 173.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.7 p -88.91 -49.84 6.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 121.169 1.804 . . . . 0.0 108.726 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.2 t -62.22 103.3 0.37 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.372 1.469 . . . . 0.0 112.963 -160.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -71.05 14.37 0.15 Allowed 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 113.845 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 10' ' ' GLU . 5.3 mmmm -103.91 155.29 18.75 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.05 2.14 . . . . 0.0 108.552 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -89.09 3.99 49.94 Favored 'General case' 0 C--O 1.221 -0.437 0 O-C-N 121.683 -0.635 . . . . 0.0 112.409 174.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.42 123.34 13.51 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 119.902 1.228 . . . . 0.0 108.934 -169.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.0 143.02 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 166.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.0 t -126.07 93.62 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 165.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD21 HD11 ' A' ' 35' ' ' LEU . 7.7 tp -79.75 99.87 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 -174.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.94 110.24 19.89 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.125 2.57 . . . . 0.0 110.758 -170.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -103.9 7.99 36.87 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -160.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 2.6 t -63.37 -16.12 59.52 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 120.129 1.332 . . . . 0.0 113.845 -167.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -80.59 -20.82 42.44 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.529 1.513 . . . . 0.0 111.56 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 t -99.89 122.68 52.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 126.18 1.792 . . . . 0.0 108.2 -164.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -113.07 -42.33 3.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 119.522 1.055 . . . . 0.0 111.384 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -100.61 140.59 34.67 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.092 0.86 . . . . 0.0 109.734 -173.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 37.8 ttm -154.43 128.9 9.15 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.023 1.729 . . . . 0.0 109.827 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -100.92 -179.18 3.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.606 1.962 . . . . 0.0 109.852 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.4 63.33 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 121.059 1.754 . . . . 0.0 110.26 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.34 -42.05 97.22 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.504 1.049 . . . . 0.0 112.303 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' A' ' 62' ' ' LEU . 8.8 mt -64.12 -59.77 4.04 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 117.892 0.846 . . . . 0.0 109.16 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.29 -17.16 59.04 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.788 -1.007 . . . . 0.0 114.174 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.477 HG21 HD23 ' A' ' 31' ' ' LEU . 7.9 m -57.61 -52.23 66.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 119.981 1.891 . . . . 0.0 108.894 165.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.62 -31.14 70.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 120.082 1.31 . . . . 0.0 111.449 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.85 -23.95 14.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 124.204 1.002 . . . . 0.0 110.857 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 t -68.07 -47.1 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.911 1.284 . . . . 0.0 109.408 162.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.568 HG21 HD12 ' A' ' 35' ' ' LEU . 3.4 mm -66.18 -33.68 65.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -54.72 -52.02 63.77 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.032 -1.043 . . . . 0.0 109.856 168.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -51.27 -44.82 61.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.265 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -67.14 -37.63 84.16 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.795 0.684 . . . . 0.0 110.646 -179.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.56 83.7 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 119.003 0.819 . . . . 0.0 111.157 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -74.08 -32.33 63.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 117.833 -1.08 . . . . 0.0 111.6 -178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -57.07 -59.83 2.71 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.454 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 34.3 m-80 -79.06 3.59 16.94 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.843 1.257 . . . . 0.0 113.17 -173.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.55 60.4 5.45 Favored Glycine 0 C--N 1.319 -0.391 0 C-N-CA 127.508 2.48 . . . . 0.0 113.026 168.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 0.6 OUTLIER -143.33 169.22 18.05 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 118.278 1.039 . . . . 0.0 113.133 -179.545 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.67 163.21 19.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.41 1.884 . . . . 0.0 108.877 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -148.97 126.02 11.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 126.06 1.744 . . . . 0.0 106.849 -173.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.693 ' C ' HD13 ' A' ' 81' ' ' LEU . 46.6 mt -152.88 146.82 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 C-N-CA 127.591 2.356 . . . . 0.0 105.123 -168.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.693 HD13 ' C ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -119.71 167.11 12.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.412 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.77 166.75 25.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.021 1.329 . . . . 0.0 113.11 -170.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 52' ' ' SER . 15.7 m 57.42 43.49 23.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.624 1.97 . . . . 0.0 112.798 158.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.54 HD21 HD11 ' A' ' 103' ' ' ILE . 14.1 mt -53.58 109.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 130.377 3.471 . . . . 0.0 111.414 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -69.33 96.93 0.91 Allowed 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 157.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 23.97 -79.44 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.171 2.188 . . . . 0.0 115.42 155.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -41.26 -66.02 0.38 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.41 1.884 . . . . 0.0 112.378 171.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.3 -60.68 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 C-N-CA 127.018 2.127 . . . . 0.0 107.38 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.1 t -32.34 -56.86 0.33 Allowed 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 120.204 1.366 . . . . 0.0 111.245 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 31.7 mtt-85 -62.2 -46.57 88.29 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.115 -1.615 . . . . 0.0 113.893 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 58.5 mt -60.03 -35.57 62.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 119.606 1.094 . . . . 0.0 110.08 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.4 mm? -66.62 -48.69 68.69 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.754 -1.216 . . . . 0.0 109.255 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 4.6 mppt? -56.38 -33.06 65.37 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 117.184 -1.389 . . . . 0.0 114.51 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 mp -52.86 -58.96 5.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.611 1.55 . . . . 0.0 110.274 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.2 m -82.86 13.11 4.12 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.677 1.191 . . . . 0.0 110.766 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.7 m80 51.52 21.39 1.25 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 125.94 1.696 . . . . 0.0 113.059 -171.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.709 HD23 HD12 ' A' ' 100' ' ' ILE . 65.9 mt -64.98 -26.84 68.47 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.695 0.798 . . . . 0.0 110.891 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -17.96 1.59 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.25 1.82 . . . . 0.0 113.489 166.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -107.67 -14.86 14.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.581 1.552 . . . . 0.0 112.119 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.709 HD12 HD23 ' A' ' 97' ' ' LEU . 85.8 mt -90.89 -50.01 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 126.102 1.761 . . . . 0.0 106.877 -174.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 8.6 m-85 -95.5 5.11 52.4 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 127.948 2.499 . . . . 0.0 111.813 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.35 -166.05 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.591 -0.693 . . . . 0.0 109.222 -154.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.54 HD11 HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -168.11 160.08 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 126.511 1.925 . . . . 0.0 106.218 158.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 p -132.11 141.9 49.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -31.14 70.08 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 120.39 -1.444 . . . . 0.0 109.505 169.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.1 p -143.12 156.26 44.76 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.231 1.012 . . . . 0.0 111.55 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.6 p -62.6 -21.27 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.593 0.757 . . . . 0.0 111.389 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.45 -16.57 63.95 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.195 1.398 . . . . 0.0 112.108 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.91 -4.56 46.63 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.468 1.031 . . . . 0.0 113.336 169.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.615 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.242 0.694 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -138.82 177.5 7.84 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 170.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.2 t30 62.82 -82.15 0.02 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 127.307 2.243 . . . . 0.0 111.863 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.24 137.48 32.31 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.188 1.395 . . . . 0.0 108.082 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.71 149.84 41.05 Favored 'General case' 0 N--CA 1.461 0.125 0 C-N-CA 123.384 0.674 . . . . 0.0 110.103 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -115.53 134.48 55.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.98 81.34 1.62 Allowed 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.669 0.787 . . . . 0.0 109.409 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.2 mt -82.62 123.65 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.19 1.396 . . . . 0.0 109.129 -172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.51 147.91 33.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 127.605 2.362 . . . . 0.0 107.483 -178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -131.18 82.59 2.05 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -135.77 164.04 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 46.73 37.75 5.05 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.549 1.54 . . . . 0.0 111.609 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.2 16.4 10.43 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 128.967 2.907 . . . . 0.0 114.152 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -133.43 137.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.826 1.65 . . . . 0.0 107.715 -169.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.61 113.29 20.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 170.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.5 mt -120.07 126.11 74.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.625 HG13 HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -132.72 109.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -169.591 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -77.23 101.58 6.29 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.0 t -72.83 112.98 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 125.252 1.421 . . . . 0.0 108.072 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -113.65 122.32 46.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.95 1.7 . . . . 0.0 107.01 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.86 177.16 14.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.03 1.3 . . . . 0.0 111.223 176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.81 111.52 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.336 1.854 . . . . 0.0 109.581 -164.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -83.59 62.87 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.206 1.402 . . . . 0.0 110.041 -153.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -81.77 175.93 10.03 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.037 -1.664 . . . . 0.0 109.298 165.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -8.19 4.67 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.171 -1.581 . . . . 0.0 114.306 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -81.33 -4.62 56.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 119.714 1.143 . . . . 0.0 111.791 170.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -138.24 -44.94 0.51 Allowed 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.771 1.228 . . . . 0.0 111.265 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 m -47.77 -39.0 16.78 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.895 1.678 . . . . 0.0 111.292 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -54.16 45.88 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 128.446 2.698 . . . . 0.0 112.021 172.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -86.26 -43.89 12.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.408 -1.432 . . . . 0.0 112.265 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD23 HG21 ' A' ' 64' ' ' THR . 3.6 tt -47.42 -34.31 7.03 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.361 1.065 . . . . 0.0 110.061 165.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -68.96 -54.17 16.79 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 119.763 1.165 . . . . 0.0 110.73 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.64 -28.94 66.15 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.409 1.084 . . . . 0.0 111.032 -173.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -96.26 -36.86 10.76 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.858 1.263 . . . . 0.0 108.912 -169.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD13 HD21 ' A' ' 49' ' ' LEU . 18.0 mt -72.1 -34.84 68.95 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.582 173.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -57.99 8.33 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 166.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -40.54 95.8 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.554 -0.736 . . . . 0.0 111.912 -173.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -51.51 -50.51 59.79 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.549 1.14 . . . . 0.0 110.551 175.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.07 -29.11 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.915 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -23.7 61.77 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.909 1.284 . . . . 0.0 112.736 174.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.1 p -92.39 -60.51 1.82 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 120.407 1.458 . . . . 0.0 108.098 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -58.32 122.92 14.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.66 0.743 . . . . 0.0 111.99 -153.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.6 p -65.46 -9.57 26.76 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.841 -1.162 . . . . 0.0 113.999 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -78.76 119.84 22.55 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -75.36 6.9 3.98 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.049 -0.407 . . . . 0.0 111.619 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.65 125.42 33.98 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.109 1.763 . . . . 0.0 106.561 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.17 137.74 53.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.4 t -129.91 99.85 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 C-N-CA 126.84 2.056 . . . . 0.0 105.948 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD12 HG13 ' A' ' 17' ' ' VAL . 8.4 tp -84.13 83.75 7.85 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.203 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.77 104.78 2.11 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.666 0.787 . . . . 0.0 111.151 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.04 18.07 7.21 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.567 0.747 . . . . 0.0 112.45 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -62.31 -15.79 50.06 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -166.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.8 m -107.98 -11.44 15.32 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.519 1.054 . . . . 0.0 112.339 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.05 144.43 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 119.445 1.02 . . . . 0.0 108.26 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -141.92 -39.87 0.37 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.161 . . . . 0.0 111.253 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -104.75 149.38 25.66 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.032 0.933 . . . . 0.0 109.352 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.3 ttp -157.83 123.71 4.66 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.705 1.202 . . . . 0.0 110.847 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -79.51 169.14 18.46 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.724 1.61 . . . . 0.0 110.069 173.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.61 -54.31 45.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.673 0.789 . . . . 0.0 109.267 168.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.53 -34.69 49.86 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.284 174.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 62' ' ' LEU . 10.6 tp -76.2 -17.66 59.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.251 1.02 . . . . 0.0 113.602 -173.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.71 -34.44 7.82 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-O 118.657 -1.08 . . . . 0.0 110.872 164.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.463 HG21 HD23 ' A' ' 31' ' ' LEU . 30.9 m -56.49 -52.36 65.02 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.526 1.663 . . . . 0.0 111.294 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.85 -28.02 67.14 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 122.612 2.46 . . . . 0.0 111.795 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.78 -35.06 63.49 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 O-C-N 121.533 -0.729 . . . . 0.0 110.632 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.92 -50.85 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 120.849 -1.157 . . . . 0.0 109.008 165.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mm -61.53 -39.14 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.495 0.718 . . . . 0.0 109.398 -173.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.9 tm? -62.89 -52.41 63.21 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.686 -0.633 . . . . 0.0 110.56 174.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -52.49 -36.23 54.65 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.218 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -36.78 74.66 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 118.692 0.678 . . . . 0.0 112.194 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.07 -52.5 65.29 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.619 1.168 . . . . 0.0 110.252 173.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -72.89 -30.65 64.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 117.111 -1.423 . . . . 0.0 112.519 -175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.91 -58.67 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 119.923 1.238 . . . . 0.0 108.233 165.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -73.86 -3.24 27.58 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.46 59.02 11.38 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 126.73 2.109 . . . . 0.0 112.123 -177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.13 170.58 15.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 117.772 0.786 . . . . 0.0 111.091 173.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.82 161.01 31.25 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 166.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -139.2 113.9 9.2 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 164.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 15.6 mt -124.84 150.08 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.3 mt -89.4 -139.43 0.13 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.0 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.5 t 164.84 167.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.32 3.048 . . . . 0.0 109.781 154.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m 61.34 61.37 1.54 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.034 2.134 . . . . 0.0 113.076 165.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -78.44 112.55 15.59 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.129 2.572 . . . . 0.0 112.122 -175.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -76.07 142.38 41.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 117.218 -1.372 . . . . 0.0 108.125 165.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -34.1 -54.29 0.49 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.324 1.849 . . . . 0.0 114.579 -175.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -62.15 -62.48 1.75 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 119.104 0.865 . . . . 0.0 111.848 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.8 mm -49.89 -53.73 9.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 124.605 1.162 . . . . 0.0 107.88 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.437 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 6.1 t -40.54 -58.52 1.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 126.642 1.977 . . . . 0.0 110.051 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -51.71 -54.17 31.26 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 123.862 0.865 . . . . 0.0 110.859 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.435 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 64.2 mt -56.84 -39.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 126.967 2.107 . . . . 0.0 109.376 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.28 -44.08 92.79 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 120.585 -1.322 . . . . 0.0 109.89 174.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' A' ' 89' ' ' SER . 1.5 mppt? -67.74 -26.32 66.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 175.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 7.3 mt -57.67 -58.14 9.66 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.213 1.405 . . . . 0.0 110.797 -174.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.45 19.47 2.79 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.818 0.735 . . . . 0.0 111.109 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.3 m170 46.87 34.86 2.84 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 126.373 1.869 . . . . 0.0 113.43 -170.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.39 -29.53 70.6 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.726 0.811 . . . . 0.0 109.336 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.55 -11.01 2.54 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.362 2.265 . . . . 0.0 116.034 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -113.0 -5.99 13.76 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.887 1.676 . . . . 0.0 112.67 170.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.77 -65.2 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -84.44 16.3 3.19 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 126.903 2.081 . . . . 0.0 111.932 179.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 47.23 -168.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.596 1.089 . . . . 0.0 110.676 -168.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.507 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -161.99 161.09 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 120.922 -1.111 . . . . 0.0 110.59 155.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 109' ' ' GLU . 61.7 p -146.38 150.72 36.22 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 123.992 0.917 . . . . 0.0 108.885 -176.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.34 -34.22 65.52 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 163.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.6 p -144.75 157.11 44.31 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 123.005 0.522 . . . . 0.0 110.254 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -37.51 -39.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 127.901 2.48 . . . . 0.0 111.542 161.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -59.04 -26.49 64.62 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.227 0.611 . . . . 0.0 111.198 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 104' ' ' THR . 1.0 OUTLIER -100.22 4.31 44.21 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.271 1.428 . . . . 0.0 111.706 -174.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.167 -174.228 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 tpp . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -156.69 155.17 31.26 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.87 -37.62 79.86 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.063 0.945 . . . . 0.0 109.792 164.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.62 121.93 14.58 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 123.056 0.542 . . . . 0.0 109.994 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 162.38 32.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.26 1.024 . . . . 0.0 109.519 169.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -145.84 105.81 4.01 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.865 -1.902 . . . . 0.0 105.865 -173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.18 83.72 1.81 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 -167.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.4 mt -83.9 133.91 28.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 126.865 2.066 . . . . 0.0 108.278 -171.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 11' ' ' GLN . 71.0 t -135.24 143.3 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 126.259 1.824 . . . . 0.0 108.53 -176.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -136.19 37.47 2.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.68 1.992 . . . . 0.0 109.126 169.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' H ' HG12 ' A' ' 9' ' ' VAL . 51.8 mt-30 -60.64 -11.69 8.02 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.452 1.101 . . . . 0.0 113.029 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -142.71 -175.47 4.5 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.382 2.673 . . . . 0.0 105.95 173.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -68.87 4.81 1.32 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 -174.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -114.31 123.23 48.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.13 112.86 16.76 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.149 0.98 . . . . 0.0 108.61 169.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.8 mt -122.46 126.25 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.838 1.655 . . . . 0.0 106.617 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -127.86 108.46 18.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 -172.415 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -69.18 95.05 0.72 Allowed 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 124.068 0.947 . . . . 0.0 109.154 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 t -67.65 131.54 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 164.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.3 113.19 12.32 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.96 -164.43 38.08 Favored Glycine 0 CA--C 1.519 0.304 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -144.14 15.22 1.69 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.751 1.275 . . . . 0.0 112.891 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.267 32.8 mt 40.74 70.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.612 1 C-N-CA 133.15 4.58 . . . . 0.0 113.362 171.827 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.9 p30 -109.06 -174.98 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 127.85 2.46 . . . . 0.0 108.947 172.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.22 -10.71 60.14 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 120.475 -1.39 . . . . 0.0 114.559 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -5.05 45.81 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 120.781 -1.199 . . . . 0.0 111.646 171.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -143.67 -41.61 0.29 Allowed 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.522 -160.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -61.12 -39.44 90.03 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 119.638 1.108 . . . . 0.0 108.863 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.94 -50.23 5.84 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.544 1.937 . . . . 0.0 112.217 164.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.7 -55.61 3.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.807 1.243 . . . . 0.0 109.942 -170.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tt -44.73 -33.55 1.91 Allowed 'General case' 0 CA--C 1.511 -0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 110.192 169.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -67.05 -56.59 9.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 120.074 1.306 . . . . 0.0 112.014 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.55 -26.78 65.58 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 118.662 0.665 . . . . 0.0 110.794 -171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -81.21 -38.06 27.62 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.483 1.113 . . . . 0.0 108.82 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -63.17 -35.85 81.66 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.724 166.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -51.16 70.21 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -54.76 29.33 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 124.368 1.067 . . . . 0.0 110.19 176.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 t80 -49.25 -60.47 2.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 127.041 2.137 . . . . 0.0 110.341 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.466 HG23 ' HD3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -61.87 -27.42 42.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.45 -173.252 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 m -78.98 -49.09 13.3 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.894 1.679 . . . . 0.0 112.228 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.4 14.56 1.2 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.866 1.667 . . . . 0.0 112.361 -164.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 t -121.79 118.0 27.93 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.664 1.586 . . . . 0.0 109.243 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 11.02 0.43 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.942 1.697 . . . . 0.0 111.946 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -110.21 119.03 37.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 119.619 -1.926 . . . . 0.0 106.982 -164.032 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.86 -33.91 76.92 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.822 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.537 ' H ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.42 140.29 31.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 178.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.0 mm -126.1 124.03 65.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -111.86 103.31 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 174.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 17' ' ' VAL . 9.0 tp -84.66 101.85 12.49 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 173.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -84.87 119.39 25.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 mt -111.81 19.98 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.546 0.338 . . . . 0.0 111.684 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -55.42 -22.43 20.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.108 1.763 . . . . 0.0 114.119 -170.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -108.67 -6.5 15.93 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.327 1.051 . . . . 0.0 112.914 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -92.57 135.99 26.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -130.31 -40.19 1.29 Allowed 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.529 0.732 . . . . 0.0 112.214 -174.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -75.48 -78.86 0.1 Allowed 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 123.998 0.919 . . . . 0.0 110.25 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.8 ttp 52.91 125.32 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 0 C-N-CA 128.442 2.697 . . . . 0.0 115.363 -163.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -94.82 177.38 5.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.975 2.11 . . . . 0.0 110.657 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.7 89.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.405 0.682 . . . . 0.0 110.202 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.9 -42.59 53.9 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 125.769 1.652 . . . . 0.0 113.115 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 62' ' ' LEU . 11.7 tp -75.78 -16.62 60.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.32 -36.64 5.86 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 118.231 -1.316 . . . . 0.0 110.631 169.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -52.47 -50.81 61.95 Favored 'General case' 0 C--O 1.226 -0.168 0 CA-C-N 119.992 1.896 . . . . 0.0 110.244 175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.47 -29.55 66.29 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.866 2.121 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -76.71 -28.75 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 O-C-N 121.168 -0.957 . . . . 0.0 109.899 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.62 -53.28 49.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 O-C-N 120.639 -1.288 . . . . 0.0 108.862 165.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 35' ' ' LEU . 2.3 mm -54.72 -39.06 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 125.574 1.55 . . . . 0.0 108.968 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD11 ' HE3' ' A' ' 73' ' ' LYS . 38.0 tp -63.78 -49.5 72.7 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 120.532 -1.355 . . . . 0.0 111.039 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -54.14 -35.53 62.32 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -68.86 -42.84 76.52 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.73 1.212 . . . . 0.0 112.099 176.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.67 72.28 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.881 0.872 . . . . 0.0 109.924 173.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 69' ' ' LEU . 22.1 mmtp -72.36 -33.68 67.44 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.279 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -53.5 -61.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.812 1.187 . . . . 0.0 108.498 166.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -71.36 -3.9 23.24 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.852 0.834 . . . . 0.0 111.88 -175.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.06 58.04 13.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 129.53 3.443 . . . . 0.0 111.746 174.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.466 ' HD3' HG23 ' A' ' 39' ' ' ILE . 11.2 ptmt -141.6 -175.24 4.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.889 0.845 . . . . 0.0 111.902 -174.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -100.73 159.87 14.83 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.931 1.293 . . . . 0.0 107.546 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -151.9 108.15 3.42 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.4 mt -128.91 152.56 37.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.996 1.318 . . . . 0.0 109.025 -174.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.528 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -116.94 176.55 5.07 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 119.096 0.862 . . . . 0.0 108.933 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.26 169.36 16.03 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.77 -0.581 . . . . 0.0 110.34 -167.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m 43.5 64.61 1.19 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.936 1.695 . . . . 0.0 112.843 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -71.3 111.79 6.92 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 128.378 2.671 . . . . 0.0 108.292 177.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -69.17 158.24 35.3 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 156.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.45 -50.16 42.22 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.108 0.963 . . . . 0.0 111.067 -172.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.7 m -57.92 -68.19 0.27 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.999 2.12 . . . . 0.0 110.776 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.538 ' HA ' HD12 ' A' ' 91' ' ' ILE . 33.6 mm -52.87 -50.34 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.661 1.184 . . . . 0.0 109.899 -177.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 t -42.14 -57.66 2.41 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 110.955 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -54.17 30.14 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 125.218 1.407 . . . . 0.0 110.292 -175.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 88' ' ' ILE . 46.5 mt -52.55 -44.65 45.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.285 2.234 . . . . 0.0 109.33 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 103' ' ' ILE . 16.0 mt -66.63 -33.68 76.19 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 120.858 -1.151 . . . . 0.0 109.991 -175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -24.05 55.01 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 168.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 16.8 mt -53.74 -68.18 0.2 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 120.951 1.705 . . . . 0.0 109.939 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -85.47 23.01 1.42 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.352 0.661 . . . . 0.0 111.212 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 50.76 34.67 10.47 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 124.663 1.185 . . . . 0.0 112.204 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD23 HD12 ' A' ' 100' ' ' ILE . 87.0 mt -67.27 -26.86 66.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.24 -0.912 . . . . 0.0 109.362 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -64.76 -3.87 3.74 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 127.044 2.138 . . . . 0.0 113.479 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -106.32 -0.12 24.59 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 118.027 -2.921 . . . . 0.0 112.559 166.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.414 HD12 HD23 ' A' ' 97' ' ' LEU . 11.8 mt -111.13 -70.97 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 -175.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -80.02 10.43 4.31 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 124.5 1.12 . . . . 0.0 112.128 173.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.574 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 6.7 ttpt 45.2 -153.4 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.025 0.93 . . . . 0.0 109.23 -173.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.574 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -177.93 161.46 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 127.138 2.175 . . . . 0.0 107.586 171.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.5 p -139.36 157.03 46.58 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -42.54 60.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 164.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.3 p -136.06 164.94 26.85 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.98 0.734 . . . . 0.0 112.98 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.16 -33.04 29.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 125.512 1.525 . . . . 0.0 110.573 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.55 -8.55 48.2 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.206 1.003 . . . . 0.0 112.31 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.08 9.72 28.3 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.988 1.267 . . . . 0.0 113.57 173.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.28 177.033 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -141.49 166.78 23.81 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 108.443 165.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -160.13 159.86 32.28 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.421 2.689 . . . . 0.0 105.911 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.18 142.21 35.36 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.394 1.078 . . . . 0.0 109.8 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -136.45 162.78 32.12 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 124.496 1.118 . . . . 0.0 111.541 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -141.89 95.98 2.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 128.097 2.559 . . . . 0.0 107.7 -176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.64 92.99 8.26 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 17' ' ' VAL . 10.1 mt -88.99 122.23 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 C-N-CA 124.425 1.09 . . . . 0.0 108.196 -173.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 11' ' ' GLN . 13.8 t -139.87 118.22 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 124.997 1.319 . . . . 0.0 109.661 -169.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -73.8 -12.47 60.7 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' HG12 ' A' ' 9' ' ' VAL . 1.0 OUTLIER 38.25 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 130.954 3.702 . . . . 0.0 113.231 -174.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -138.96 117.27 11.91 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.868 1.213 . . . . 0.0 108.918 147.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 54.7 30.22 13.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.433 2.293 . . . . 0.0 115.073 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -147.89 114.55 6.02 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 120.761 -1.212 . . . . 0.0 107.809 175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 88.83 5.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -176.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.27 151.88 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 ' CE2' ' A' ' 38' ' ' PHE . 83.8 t -139.27 107.46 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.813 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -76.7 94.95 3.89 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' HB ' HD23 ' A' ' 51' ' ' LEU . 53.0 t -68.5 142.0 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -147.92 110.76 4.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.26 -162.06 34.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 108.775 -1.73 . . . . 0.0 108.775 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -144.89 103.29 3.88 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 104.756 -2.313 . . . . 0.0 104.756 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 54' ' ' VAL . 44.9 mt -76.65 111.64 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -161.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -144.92 -162.01 1.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 164.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.66 -7.48 1.56 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -98.52 4.27 48.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 120.551 1.523 . . . . 0.0 112.576 175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -148.52 -28.81 0.3 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 118.404 -0.807 . . . . 0.0 112.733 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -57.28 -44.66 84.22 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 120.501 1.501 . . . . 0.0 108.15 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.8 -27.67 52.4 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 126.413 1.885 . . . . 0.0 113.539 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -114.05 -43.91 3.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.784 2.034 . . . . 0.0 109.593 -170.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 64' ' ' THR . 1.0 OUTLIER -51.67 -33.82 35.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 120.837 -1.164 . . . . 0.0 109.397 167.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -66.43 -54.42 24.41 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 118.424 0.556 . . . . 0.0 111.965 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.75 -32.73 74.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.133 0.879 . . . . 0.0 110.909 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -83.99 -34.55 24.33 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -170.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.599 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -60.37 -44.44 95.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.022 164.026 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -56.84 -48.32 78.31 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.451 1.023 . . . . 0.0 109.164 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -51.79 -53.18 42.79 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 125.189 1.396 . . . . 0.0 110.302 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE2' HG21 ' A' ' 17' ' ' VAL . 1.1 t80 -57.13 -56.04 26.92 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.894 1.677 . . . . 0.0 110.158 -176.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -37.59 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 126.617 1.967 . . . . 0.0 110.702 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -67.83 -50.95 53.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.391 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -77.96 -25.66 48.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.457 1.026 . . . . 0.0 111.146 -166.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -70.28 112.84 6.9 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 121.947 0.88 . . . . 0.0 110.505 -170.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 m -57.67 -19.38 26.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.694 0.798 . . . . 0.0 112.645 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -78.98 131.67 36.4 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -170.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.19 -31.62 72.17 Favored 'General case' 0 C--O 1.22 -0.45 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.815 170.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -107.9 120.44 42.3 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.953 1.301 . . . . 0.0 109.356 -160.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 46' ' ' LYS . 1.8 mp -119.21 129.59 75.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 105.663 -1.976 . . . . 0.0 105.663 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.9 95.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HG ' HD21 ' A' ' 51' ' ' LEU . 6.3 tp -80.01 100.91 8.37 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -175.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -85.15 120.87 27.13 Favored 'General case' 0 CA--C 1.497 -1.086 0 C-N-CA 125.993 1.717 . . . . 0.0 108.452 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.566 HD21 ' HG ' ' A' ' 49' ' ' LEU . 1.9 mt -123.05 38.05 4.28 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -68.02 -27.99 67.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.1 -0.375 . . . . 0.0 111.022 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -82.81 -28.99 29.84 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 117.58 -1.2 . . . . 0.0 112.624 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 12.2 p -73.67 131.55 34.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.325 1.42 . . . . 0.0 111.596 -169.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 m -110.92 -27.03 8.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.577 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -110.61 145.32 38.08 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 120.105 1.32 . . . . 0.0 110.472 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.4 ttp -149.98 116.61 5.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 125.249 1.42 . . . . 0.0 108.976 170.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.87 172.06 11.03 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 127.032 2.133 . . . . 0.0 109.025 170.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.69 -28.12 69.18 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 119.544 1.065 . . . . 0.0 111.416 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.61 -34.85 73.59 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 124.222 0.915 . . . . 0.0 112.221 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 62' ' ' LEU . 5.0 mt -68.91 -53.83 18.88 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.428 1.114 . . . . 0.0 110.265 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.96 -29.41 59.12 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.97 -0.905 . . . . 0.0 111.628 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.558 HG21 HD23 ' A' ' 31' ' ' LEU . 99.5 m -58.74 -53.86 53.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.405 1.103 . . . . 0.0 109.485 172.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.8 mt -56.75 -33.97 67.1 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.603 1.547 . . . . 0.0 110.933 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 t -68.88 -39.04 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.687 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.18 -55.54 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.854 1.207 . . . . 0.0 108.684 167.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.599 HG21 HD12 ' A' ' 35' ' ' LEU . 3.4 mm -55.34 -45.48 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.764 0.825 . . . . 0.0 109.138 -171.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.2 -54.79 41.66 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.496 0.718 . . . . 0.0 110.923 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -55.0 -30.97 60.63 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 122.386 0.275 . . . . 0.0 111.019 -174.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.79 23.91 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.74 2.016 . . . . 0.0 111.639 172.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.64 -44.05 18.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.771 1.228 . . . . 0.0 111.911 172.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -68.15 -41.95 80.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 116.857 -1.544 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.93 -50.02 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 120.074 1.307 . . . . 0.0 109.168 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.86 -8.09 55.44 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -172.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.89 69.55 1.33 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 128.691 3.043 . . . . 0.0 110.475 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -145.72 169.69 17.99 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.83 107.98 19.34 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 130.057 3.343 . . . . 0.0 106.736 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -108.0 112.36 24.9 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.828 1.651 . . . . 0.0 108.827 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.45 153.29 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 C-N-CA 124.106 0.963 . . . . 0.0 108.433 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.6 173.45 6.61 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.901 0.88 . . . . 0.0 109.959 175.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.66 160.88 26.18 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.86 0.864 . . . . 0.0 111.243 -168.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 m 59.62 50.45 7.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.56 1.544 . . . . 0.0 113.12 167.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 103' ' ' ILE . 9.1 mt -58.25 97.78 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 131.379 3.871 . . . . 0.0 112.289 -177.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -72.18 87.33 1.09 Allowed 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 127.153 2.181 . . . . 0.0 107.035 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 24.42 -76.91 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 130.124 3.37 . . . . 0.0 115.065 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.19 -66.37 0.36 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.639 1.176 . . . . 0.0 110.993 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.432 ' O ' HD23 ' A' ' 92' ' ' LEU . 3.8 mp -48.47 -58.63 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 C-N-CA 125.291 1.436 . . . . 0.0 107.869 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.457 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 1.3 t -34.48 -60.38 0.42 Allowed 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 120.723 1.601 . . . . 0.0 113.406 173.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -54.34 21.93 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.99 1.268 . . . . 0.0 110.943 173.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.572 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 67.9 mt -67.33 -23.67 30.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 C-N-CA 124.695 1.198 . . . . 0.0 108.957 -161.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 88' ' ' ILE . 1.6 mm? -77.59 -44.28 28.93 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 119.9 -1.75 . . . . 0.0 108.918 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' A' ' 89' ' ' SER . 2.3 mppt? -70.79 -28.52 64.71 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 95' ' ' THR 0.306 0.1 OUTLIER -56.24 -36.59 68.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.871 1.269 . . . . 0.0 109.575 -173.943 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.646 ' N ' HD12 ' A' ' 94' ' ' LEU . 1.3 p -98.78 7.9 45.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 128.595 2.758 . . . . 0.0 112.829 178.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m170 59.08 22.48 10.57 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 120.256 -1.528 . . . . 0.0 113.427 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 100' ' ' ILE . 84.3 mt -71.15 -13.64 62.01 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.495 -1.378 . . . . 0.0 110.288 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.91 -14.96 25.82 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.86 2.064 . . . . 0.0 114.76 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -111.17 -0.83 16.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.774 0.83 . . . . 0.0 112.232 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 97' ' ' LEU . 81.2 mt -96.47 -38.4 8.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.332 1.053 . . . . 0.0 108.62 177.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -111.22 11.05 21.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.462 1.905 . . . . 0.0 112.234 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 9.1 ttpp 47.02 -159.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -157.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.568 HD11 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -164.87 168.37 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 126.525 1.93 . . . . 0.0 106.997 157.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.2 p -136.83 168.88 18.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 165.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.37 -45.27 22.87 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 157.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 p -134.88 156.89 48.16 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.195 1.398 . . . . 0.0 110.703 -163.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.66 -25.22 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 124.092 0.957 . . . . 0.0 110.901 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -67.5 -5.45 15.11 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.773 2.429 . . . . 0.0 112.992 171.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.55 13.22 8.73 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.734 0.813 . . . . 0.0 111.929 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.827 0 CA-C-O 116.642 -1.647 . . . . 0.0 110.423 175.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -143.3 77.32 1.56 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 125.23 1.412 . . . . 0.0 107.469 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -84.52 -43.66 14.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.155 0.582 . . . . 0.0 110.007 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.52 124.2 19.99 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.523 1.129 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -144.17 167.4 22.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.126 2.97 . . . . 0.0 110.128 -176.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -147.5 114.07 6.0 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.787 1.635 . . . . 0.0 108.39 -171.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.65 83.42 2.03 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.779 1.632 . . . . 0.0 108.266 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.5 mt -82.08 142.23 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.7 1.2 . . . . 0.0 108.676 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -141.71 141.74 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 125.865 1.666 . . . . 0.0 108.272 174.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -129.65 -136.02 0.22 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.899 1.279 . . . . 0.0 108.425 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.57 -2.99 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.677 2.391 . . . . 0.0 116.864 -169.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.49 27.65 7.7 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.183 2.193 . . . . 0.0 109.526 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 59.73 -16.71 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 128.672 2.789 . . . . 0.0 116.384 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 29.4 mttp -98.76 169.05 9.75 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 128.452 2.701 . . . . 0.0 108.942 164.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.45 115.42 27.24 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 129.317 3.047 . . . . 0.0 107.446 164.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.58 125.67 71.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -131.04 104.09 8.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -169.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 mtp-105 -72.04 101.18 2.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.17 133.23 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 165.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -124.83 113.65 18.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.42 166.48 14.45 Favored Glycine 0 N--CA 1.465 0.574 0 CA-C-N 118.887 0.767 . . . . 0.0 111.302 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.9 179.1 6.78 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.511 1.124 . . . . 0.0 110.287 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -128.84 83.94 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 122.328 1.061 . . . . 0.0 108.607 -175.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.8 -176.28 2.89 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.488 1.515 . . . . 0.0 108.463 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.44 -12.15 3.6 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.144 -1.597 . . . . 0.0 114.827 163.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.06 -10.65 49.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 120.264 1.393 . . . . 0.0 111.521 174.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -133.71 -48.3 0.81 Allowed 'General case' 0 C--O 1.214 -0.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.254 -164.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -53.87 -37.15 63.4 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 120.195 1.361 . . . . 0.0 110.017 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -26.34 8.16 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.479 1.111 . . . . 0.0 113.497 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -120.26 -49.87 2.26 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.767 2.027 . . . . 0.0 111.588 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tt -42.56 -35.53 1.11 Allowed 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 125.211 1.404 . . . . 0.0 110.849 162.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -63.16 -65.15 0.73 Allowed 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 119.323 0.965 . . . . 0.0 110.095 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.05 -20.55 66.21 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 118.587 0.63 . . . . 0.0 112.103 -168.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.62 -41.56 21.3 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 26.0 mt -67.56 -28.93 68.2 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.995 0.918 . . . . 0.0 112.886 170.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -55.27 25.97 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.865 1.266 . . . . 0.0 108.6 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -45.54 86.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.148 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -47.1 -57.85 4.64 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.57 1.548 . . . . 0.0 110.769 178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -63.21 -30.69 50.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-N 118.494 0.588 . . . . 0.0 112.182 -177.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -84.77 -10.34 57.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 117.096 -1.431 . . . . 0.0 114.216 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.7 p -109.37 -27.77 9.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.656 1.571 . . . . 0.0 112.091 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 39' ' ' ILE . 13.8 t -65.26 115.89 6.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.144 -0.973 . . . . 0.0 110.001 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.29 4.37 4.69 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 120.487 -1.383 . . . . 0.0 114.243 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -89.08 149.01 23.4 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 119.141 -2.225 . . . . 0.0 108.472 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -87.34 -1.38 57.88 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.49 123.17 35.3 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 -172.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 46' ' ' LYS . 1.7 mp -124.12 125.52 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 104.47 -2.419 . . . . 0.0 104.47 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.99 106.84 19.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 105.884 -1.895 . . . . 0.0 105.884 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 HG13 ' A' ' 17' ' ' VAL . 5.3 tp -87.65 97.68 11.01 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.175 0.99 . . . . 0.0 108.397 -175.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.08 114.05 13.13 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.52 16.13 17.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 124.472 1.109 . . . . 0.0 110.595 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.45 -1.68 2.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.905 1.282 . . . . 0.0 113.634 -165.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.02 -4.56 4.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.435 1.494 . . . . 0.0 113.307 172.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.31 130.99 35.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.42 -50.29 2.12 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -98.41 150.3 21.76 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.879 0.871 . . . . 0.0 108.753 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.0 ttm -151.35 112.31 4.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.875 2.07 . . . . 0.0 106.322 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -83.0 177.95 8.38 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.635 0.585 . . . . 0.0 110.432 172.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -18.5 51.63 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.392 0.677 . . . . 0.0 112.34 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.82 85.69 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 118.895 0.77 . . . . 0.0 114.523 173.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -67.78 -52.89 31.98 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 117.328 0.564 . . . . 0.0 110.475 -169.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.07 -29.03 69.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.845 -0.975 . . . . 0.0 112.629 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.3 m -58.4 -53.01 63.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 115.3 -2.286 . . . . 0.0 110.367 169.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.83 -37.91 60.66 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 122.802 2.546 . . . . 0.0 109.85 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.82 -28.34 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 O-C-N 121.45 -0.781 . . . . 0.0 110.437 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.8 -51.04 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.685 1.129 . . . . 0.0 108.818 161.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.9 mm -60.37 -37.86 75.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.19 -55.65 32.19 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.031 -1.043 . . . . 0.0 109.092 170.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -57.07 -38.35 73.17 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.592 -170.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.44 -33.58 75.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 118.054 0.388 . . . . 0.0 111.604 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.3 70.46 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 123.949 0.9 . . . . 0.0 109.973 172.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -69.92 -31.94 69.98 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.827 -0.546 . . . . 0.0 110.466 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -57.94 -46.49 87.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 118.973 0.806 . . . . 0.0 110.423 170.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.478 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 35.0 m-80 -82.31 -4.0 56.39 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.249 1.02 . . . . 0.0 112.88 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.7 61.82 4.74 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 126.478 1.99 . . . . 0.0 111.25 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.478 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 15.6 ptpt -153.98 -176.97 6.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.015 0.907 . . . . 0.0 112.698 -175.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.3 169.6 9.46 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.529 1.531 . . . . 0.0 111.193 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.55 107.89 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 112.734 -2.03 . . . . 0.0 109.601 -172.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.5 mt -133.88 144.47 35.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 C-N-CA 124.676 1.19 . . . . 0.0 109.38 -172.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.77 152.41 34.43 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -171.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -149.95 165.21 33.32 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.03 -160.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m 56.69 46.25 20.48 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 123.555 1.645 . . . . 0.0 112.289 171.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.76 101.07 1.0 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 128.705 2.802 . . . . 0.0 111.476 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -59.89 162.38 5.55 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.497 170.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -49.04 -56.48 8.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.509 1.124 . . . . 0.0 112.041 -176.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -63.13 -58.22 7.97 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.879 0.872 . . . . 0.0 111.364 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.5 mm -57.51 -51.77 65.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 CA-C-O 116.48 -1.724 . . . . 0.0 107.494 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -37.88 -56.31 1.12 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.654 1.57 . . . . 0.0 109.904 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -47.57 78.18 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.429 1.092 . . . . 0.0 112.112 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.582 ' C ' HD12 ' A' ' 94' ' ' LEU . 42.5 mt -70.64 11.51 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.789 2.436 . . . . 0.0 111.486 176.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -109.2 -39.49 5.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 118.664 -2.522 . . . . 0.0 109.251 160.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -23.71 63.64 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.022 -1.049 . . . . 0.0 113.444 174.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.582 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -55.38 -34.21 64.13 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 126.571 1.948 . . . . 0.0 114.678 -172.26 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.497 ' H ' HD13 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -120.06 21.41 11.84 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.848 1.259 . . . . 0.0 110.073 176.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.7 m80 56.06 40.97 30.18 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.664 1.185 . . . . 0.0 110.396 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.738 HD23 HD12 ' A' ' 100' ' ' ILE . 34.8 mt -79.34 -23.71 43.24 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.097 0.559 . . . . 0.0 109.821 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.67 -5.25 3.8 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.038 2.135 . . . . 0.0 114.933 174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -114.36 1.75 14.52 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.118 1.367 . . . . 0.0 112.723 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.738 HD12 HD23 ' A' ' 97' ' ' LEU . 56.9 mt -103.9 -30.02 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 124.703 1.201 . . . . 0.0 108.109 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 97' ' ' LEU . 2.5 m-85 -127.46 16.96 7.05 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.273 1.829 . . . . 0.0 111.465 -175.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.535 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 10.8 tttp 48.75 -160.99 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -165.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.562 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -171.41 154.55 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 125.47 1.508 . . . . 0.0 107.821 158.093 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.535 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 44.9 p -142.85 118.23 10.26 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -167.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.2 -33.66 65.54 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.053 -1.654 . . . . 0.0 110.532 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 28.3 p -136.43 162.93 31.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 123.901 0.751 . . . . 0.0 111.54 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.95 -24.81 24.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.614 1.566 . . . . 0.0 111.516 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.23 -19.84 63.95 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.958 0.903 . . . . 0.0 112.793 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.19 -2.43 56.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.719 1.145 . . . . 0.0 113.071 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.422 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.253 1.267 0 CA-C-N 119.228 0.922 . . . . 0.0 111.224 -174.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -65.85 126.44 28.51 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.583 1.553 . . . . 0.0 108.048 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -142.53 178.0 7.9 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 166.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -75.55 118.39 18.35 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 121.943 -0.473 . . . . 0.0 111.15 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -127.74 165.69 19.59 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.075 2.15 . . . . 0.0 110.688 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.1 mt -136.83 151.02 48.66 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.05 2.14 . . . . 0.0 105.708 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.76 83.61 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 168.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mt -74.36 128.39 36.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.1 t -139.42 131.34 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 15' ' ' ALA . 94.4 mt-10 -133.52 98.05 4.11 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.66 1.184 . . . . 0.0 110.552 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -135.25 -48.84 0.72 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 123.463 0.705 . . . . 0.0 110.157 168.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -80.49 59.4 3.5 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 122.422 1.106 . . . . 0.0 110.258 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 54.57 10.01 0.31 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.346 2.658 . . . . 0.0 115.321 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HD3' HG21 ' A' ' 48' ' ' VAL . 13.1 ttmt -140.86 162.56 35.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.041 -2.287 . . . . 0.0 106.386 -165.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . . . -112.08 92.16 3.93 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 125.011 1.324 . . . . 0.0 108.695 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.55 147.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.624 HG13 HD12 ' A' ' 49' ' ' LEU . 1.2 p -148.96 112.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 118.268 0.485 . . . . 0.0 109.807 170.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -81.42 96.43 7.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.419 1.088 . . . . 0.0 108.833 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -72.4 123.9 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.773 1.629 . . . . 0.0 109.065 175.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.44 115.88 15.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.214 1.805 . . . . 0.0 108.724 -169.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.32 167.09 25.68 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -83.88 173.66 11.04 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.497 1.119 . . . . 0.0 111.312 -161.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.56 40.91 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-O 121.622 0.725 . . . . 0.0 109.749 -164.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -90.09 -172.86 3.64 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 117.821 -3.049 . . . . 0.0 107.641 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.61 -0.16 0.25 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.156 2.182 . . . . 0.0 114.994 -175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -95.03 -7.84 38.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 127.348 2.259 . . . . 0.0 113.069 173.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -148.84 -41.23 0.15 Allowed 'General case' 0 CA--C 1.502 -0.893 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.145 -162.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.1 p -56.76 -36.3 69.65 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.384 0.993 . . . . 0.0 108.909 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -24.76 63.4 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 125.389 1.475 . . . . 0.0 113.313 175.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -85.61 -60.79 1.92 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.402 HD23 HG21 ' A' ' 64' ' ' THR . 2.5 tt -42.22 -32.33 0.48 Allowed 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 127.956 2.503 . . . . 0.0 111.342 169.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.4 ttpt -64.83 -54.46 30.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 118.573 0.624 . . . . 0.0 111.362 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 4.5 pt-20 -71.31 -6.23 38.36 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.447 1.021 . . . . 0.0 113.152 -170.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.52 -46.05 4.67 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 125.952 1.701 . . . . 0.0 106.482 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.3 mt -66.12 -35.26 80.03 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.221 -0.924 . . . . 0.0 111.971 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.87 -13.13 62.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.106 -0.996 . . . . 0.0 111.313 172.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' THR . 2.3 m-80 -86.41 -55.95 3.66 Favored 'General case' 0 CA--C 1.517 -0.313 0 O-C-N 120.932 -1.105 . . . . 0.0 108.959 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.517 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.7 t80 -40.05 -54.82 2.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 128.314 2.646 . . . . 0.0 111.181 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -72.46 -20.34 19.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -77.64 -24.78 49.42 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.996 165.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 37' ' ' ASN . 15.4 t -129.24 56.83 1.67 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 120.943 1.701 . . . . 0.0 109.66 -167.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -133.5 -39.65 0.9 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.004 1.321 . . . . 0.0 112.537 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 m 51.63 -1.76 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -168.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -79.61 133.69 36.43 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 173.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 7.25 1.76 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 113.51 5.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 120.533 1.515 . . . . 0.0 109.575 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.66 132.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.516 HG21 ' HD3' ' A' ' 14' ' ' LYS . 94.2 t -121.55 97.86 5.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 C-N-CA 127.434 2.294 . . . . 0.0 106.537 174.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.624 HD12 HG13 ' A' ' 17' ' ' VAL . 13.4 tp -85.84 93.55 8.93 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 113.047 -1.888 . . . . 0.0 108.476 -174.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -89.92 121.65 32.22 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 125.331 1.453 . . . . 0.0 112.328 -166.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -122.78 29.61 6.77 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -165.162 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 13.1 p -69.18 -5.54 23.21 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.714 -1.241 . . . . 0.0 112.938 173.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -122.1 -6.25 8.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 120.573 1.533 . . . . 0.0 114.089 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 8.7 p -72.28 -177.34 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.591 1.541 . . . . 0.0 108.76 157.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -150.13 -41.0 0.13 Allowed 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.876 -1.14 . . . . 0.0 111.469 152.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.07 124.97 41.22 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -168.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.7 ttm -133.42 124.34 26.94 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 125.45 1.5 . . . . 0.0 110.176 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -93.28 175.14 6.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.832 2.453 . . . . 0.0 109.72 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -15.2 58.21 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.123 0.969 . . . . 0.0 112.267 171.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.24 -32.32 6.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 125.074 1.321 . . . . 0.0 113.381 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.12 -52.19 50.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.857 1.263 . . . . 0.0 110.057 -167.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.87 -9.1 44.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 123.941 0.782 . . . . 0.0 113.226 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.402 HG21 HD23 ' A' ' 31' ' ' LEU . 5.4 m -65.04 -51.29 62.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.868 169.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.59 -30.18 67.01 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.511 1.505 . . . . 0.0 110.816 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.6 -38.16 78.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 122.968 0.507 . . . . 0.0 110.773 176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -57.43 -50.72 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 119.359 0.981 . . . . 0.0 109.339 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mm -59.32 -41.7 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.894 0.878 . . . . 0.0 108.762 -172.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -55.95 27.76 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 124.225 1.01 . . . . 0.0 111.18 173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -47.03 -41.86 17.34 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.918 0.487 . . . . 0.0 110.479 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -34.13 77.11 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -49.46 76.41 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 125.312 1.445 . . . . 0.0 109.522 170.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -73.76 -28.09 61.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.299 -0.857 . . . . 0.0 111.95 -173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.86 -59.77 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 C-N-CA 124.385 1.074 . . . . 0.0 108.945 165.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -72.02 -5.13 32.84 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.04 62.67 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.751 1.167 . . . . 0.0 112.92 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.71 174.43 10.53 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.253 1.527 . . . . 0.0 112.343 167.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -93.9 162.64 13.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.82 1.248 . . . . 0.0 109.655 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -145.3 133.52 21.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.717 1.607 . . . . 0.0 108.612 -175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.696 ' C ' HD13 ' A' ' 81' ' ' LEU . 65.8 mt -153.06 148.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 C-N-CA 129.079 2.951 . . . . 0.0 105.891 -170.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -125.77 172.53 9.75 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.414 0.686 . . . . 0.0 110.148 -178.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -155.6 152.47 28.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.609 0.568 . . . . 0.0 111.382 -160.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 52' ' ' SER . 5.0 m 54.38 55.8 7.66 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.148 2.579 . . . . 0.0 115.33 170.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.877 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -61.82 119.84 9.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 130.551 3.541 . . . . 0.0 110.654 178.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -85.62 159.29 19.88 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.548 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.09 -14.58 61.99 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -73.28 -79.71 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 161.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.1 mm -40.91 -58.16 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.344 0 C-N-CA 128.213 2.605 . . . . 0.0 110.079 -173.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.7 t -45.71 -59.13 2.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.091 1.756 . . . . 0.0 110.268 -171.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -60.03 -43.48 95.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.393 -0.817 . . . . 0.0 110.609 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.4 -36.0 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.786 1.235 . . . . 0.0 110.729 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.93 -45.41 74.39 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.814 -1.179 . . . . 0.0 110.126 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.54 75.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 117.966 -1.016 . . . . 0.0 113.331 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.19 -55.95 9.13 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.093 1.757 . . . . 0.0 110.553 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.32 8.75 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.359 1.864 . . . . 0.0 112.503 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.7 m80 52.96 27.42 5.55 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.103 1.319 . . . . 0.0 113.389 -176.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 100' ' ' ILE . 87.1 mt -73.72 -19.79 60.7 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.687 1.195 . . . . 0.0 110.518 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -63.52 -6.69 5.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.91 2.084 . . . . 0.0 114.497 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.49 6.18 7.61 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.674 1.99 . . . . 0.0 111.232 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.462 HD12 HD23 ' A' ' 97' ' ' LEU . 71.0 mt -107.56 -46.04 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.733 1.613 . . . . 0.0 107.492 176.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.59 ' HB2' HD21 ' A' ' 81' ' ' LEU . 1.8 m-30 -104.31 13.43 32.12 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 126.169 1.788 . . . . 0.0 109.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HB3' HG23 ' A' ' 80' ' ' ILE . 6.6 ttpp 46.47 -159.6 0.03 OUTLIER 'General case' 0 C--O 1.239 0.547 0 CA-C-N 119.108 0.867 . . . . 0.0 109.689 -161.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.584 HG12 HD21 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -167.89 163.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.077 2.151 . . . . 0.0 105.535 152.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.5 p -139.0 143.32 38.43 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.14 -33.2 74.94 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.81 172.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.5 p -141.55 166.6 24.3 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.028 0.831 . . . . 0.0 111.979 166.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.7 p -51.7 -23.53 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 126.419 1.888 . . . . 0.0 112.394 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.76 1.27 50.26 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.127 1.371 . . . . 0.0 112.016 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.8 7.44 37.08 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.299 0.954 . . . . 0.0 113.084 161.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-N 119.287 0.949 . . . . 0.0 110.121 -178.634 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -82.29 -40.98 20.74 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.906 0.882 . . . . 0.0 108.873 160.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.7 t30 54.69 -72.1 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.052 2.141 . . . . 0.0 112.201 -166.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 31' ' ' LEU . 2.6 tm? -60.13 132.9 55.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.48 1.512 . . . . 0.0 111.463 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -151.21 168.38 24.88 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.876 2.07 . . . . 0.0 110.84 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.4 mt -145.9 105.73 3.99 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.131 1.332 . . . . 0.0 113.083 -165.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 3.6 t70 -85.45 67.96 10.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.202 1.001 . . . . 0.0 111.56 -175.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.6 mt -70.41 127.33 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 120.685 -1.259 . . . . 0.0 109.119 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.7 t -141.36 127.27 19.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -102.84 94.97 5.87 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -141.26 -37.1 0.43 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 28.12 1.17 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.258 0.936 . . . . 0.0 111.703 -176.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 66.06 14.73 9.77 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.827 1.651 . . . . 0.0 112.78 -169.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HD2' HG22 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -132.73 158.62 41.9 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 129.646 3.178 . . . . 0.0 107.131 176.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.51 88.38 5.89 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.462 1.905 . . . . 0.0 107.412 169.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.57 154.29 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 171.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG13 HD12 ' A' ' 49' ' ' LEU . 1.1 p -150.23 104.49 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 22.3 mtp180 -81.58 98.92 8.56 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 t -60.98 139.45 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -125.24 135.9 53.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.97 167.72 12.8 Favored Glycine 0 C--O 1.224 -0.476 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -173.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -121.28 128.89 52.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.563 HD12 HG11 ' A' ' 54' ' ' VAL . 57.8 mt -95.23 117.05 38.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 CA-C-O 122.958 1.361 . . . . 0.0 108.878 -157.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -136.14 178.61 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.58 0.11 0.36 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.085 1.354 . . . . 0.0 113.758 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.52 -13.61 34.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.105 1.762 . . . . 0.0 113.035 170.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -138.2 -36.84 0.58 Allowed 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 117.798 -1.096 . . . . 0.0 111.948 -163.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 p -49.46 -48.35 47.73 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.39 1.076 . . . . 0.0 108.816 173.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.03 -45.16 1.19 Allowed 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 129.343 3.057 . . . . 0.0 113.348 169.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.98 -46.09 6.03 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 126.208 1.803 . . . . 0.0 109.538 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD12 HD21 ' A' ' 4' ' ' LEU . 3.7 tt -42.9 -39.65 2.63 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.624 1.17 . . . . 0.0 110.177 165.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 5.1 ttpt -60.16 -59.17 5.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 O-C-N 123.918 0.761 . . . . 0.0 111.786 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 11.0 pt-20 -66.83 -26.86 67.13 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.869 0.759 . . . . 0.0 110.863 -172.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -80.94 -41.57 22.71 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.348 1.059 . . . . 0.0 109.032 -175.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -59.0 -41.56 87.93 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.402 1.081 . . . . 0.0 110.807 165.407 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -61.04 -44.27 97.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.873 0.76 . . . . 0.0 109.941 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -59.24 -54.2 49.6 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.12 0.568 . . . . 0.0 110.978 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 17' ' ' VAL . 5.9 t80 -51.57 -46.93 63.63 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.955 1.702 . . . . 0.0 111.684 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mt -69.41 -25.64 29.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 O-C-N 120.778 -1.201 . . . . 0.0 110.524 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -40.43 69.24 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.326 1.421 . . . . 0.0 110.228 173.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -87.21 -48.87 7.69 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.609 0.764 . . . . 0.0 111.149 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.83 125.91 25.49 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.722 0.773 . . . . 0.0 110.625 -158.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -75.25 -25.08 57.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.244 1.417 . . . . 0.0 111.59 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -82.32 120.36 25.31 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.68 1.22 5.57 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 103.46 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.919 1.688 . . . . 0.0 108.399 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -91.84 130.92 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 126.587 1.955 . . . . 0.0 106.275 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -128.48 99.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.198 1.799 . . . . 0.0 106.26 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.663 HD12 HG13 ' A' ' 17' ' ' VAL . 6.6 tp -89.66 88.3 7.34 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.892 -170.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.22 101.1 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.53 11.02 4.96 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 120.112 -1.618 . . . . 0.0 111.147 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -53.38 -15.83 1.17 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -155.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.9 m -98.26 -36.03 10.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 119.989 -1.694 . . . . 0.0 111.877 174.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG11 HD12 ' A' ' 23' ' ' ILE . 4.0 t -55.7 110.61 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.761 1.624 . . . . 0.0 109.642 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.6 m -97.24 -48.42 5.35 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.565 -0.709 . . . . 0.0 110.068 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -87.53 146.81 25.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.281 0.363 . . . . 0.0 110.609 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.413 ' HB2' ' CD1' ' A' ' 88' ' ' ILE . 49.4 ttm -148.61 117.89 6.87 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.882 1.273 . . . . 0.0 109.036 170.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -80.03 162.16 25.01 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 162.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.91 56.15 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.806 1.242 . . . . 0.0 111.871 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -47.11 -69.56 0.86 Allowed Glycine 0 N--CA 1.44 -1.095 0 C-N-CA 127.348 2.404 . . . . 0.0 110.319 171.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.99 -40.32 76.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.457 -1.025 . . . . 0.0 112.381 -171.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.03 -16.36 52.52 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 118.509 -1.162 . . . . 0.0 113.304 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 85.9 m -76.01 -46.47 29.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.026 -2.212 . . . . 0.0 105.026 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -38.56 73.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.971 0.805 . . . . 0.0 109.102 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 t -65.38 -33.71 65.49 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 CA-C-O 118.935 -0.555 . . . . 0.0 111.366 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.64 -54.44 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.133 1.373 . . . . 0.0 109.759 169.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -41.74 31.94 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 129.289 3.036 . . . . 0.0 109.364 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD21 ' HE2' ' A' ' 73' ' ' LYS . 1.5 tm? -64.16 -54.99 25.12 Favored 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 120.4 -1.437 . . . . 0.0 111.776 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -51.7 -41.78 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.238 -0.289 . . . . 0.0 110.288 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -58.09 -43.05 86.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.431 1.492 . . . . 0.0 111.89 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.58 -54.64 30.21 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 125.99 1.716 . . . . 0.0 111.12 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.777 ' HE2' HD21 ' A' ' 69' ' ' LEU . 45.9 mmtt -64.68 -42.24 95.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 118.752 -0.642 . . . . 0.0 110.449 -177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.9 mt -53.54 -46.57 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 C-N-CA 124.608 1.163 . . . . 0.0 110.162 173.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -78.66 -8.65 58.89 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.37 63.23 4.45 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 125.813 1.673 . . . . 0.0 111.107 -171.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -149.62 174.33 12.68 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.81 1.244 . . . . 0.0 110.021 171.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -96.79 170.74 8.97 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.318 1.047 . . . . 0.0 110.987 174.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.67 116.9 5.27 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.327 1.451 . . . . 0.0 108.39 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.9 mt -133.14 154.05 38.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 C-N-CA 124.348 1.059 . . . . 0.0 109.28 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.49 154.04 30.04 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 123.414 0.685 . . . . 0.0 110.151 -178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.83 164.79 29.29 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 125.241 1.416 . . . . 0.0 112.502 -171.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m 74.28 30.4 1.18 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.551 1.941 . . . . 0.0 114.855 163.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -53.53 105.6 0.14 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 128.116 2.566 . . . . 0.0 113.338 -171.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -70.28 158.96 34.94 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 114.485 -1.234 . . . . 0.0 109.855 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -46.84 -45.61 20.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.198 1.399 . . . . 0.0 111.091 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -68.24 -71.15 0.22 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.501 1.521 . . . . 0.0 110.342 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 57' ' ' MET . 37.1 mm -48.52 -54.73 4.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 C-N-CA 125.053 1.341 . . . . 0.0 108.824 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.474 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 8.7 t -39.07 -60.42 0.88 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.736 1.614 . . . . 0.0 108.922 177.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -54.8 -54.85 36.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 117.738 -1.125 . . . . 0.0 111.145 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 58.6 mt -52.31 -33.33 17.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.599 1.96 . . . . 0.0 109.884 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.795 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.9 mm? -69.09 -49.72 54.67 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 119.713 -1.867 . . . . 0.0 110.61 171.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -60.25 -28.32 67.94 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 175.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 11.3 mt -52.84 -54.67 31.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.695 1.598 . . . . 0.0 109.917 -178.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.19 14.6 23.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.657 0.783 . . . . 0.0 110.943 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.0 m170 52.49 28.94 6.43 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.044 1.738 . . . . 0.0 113.288 -173.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.842 HD23 HD12 ' A' ' 100' ' ' ILE . 74.9 mt -68.31 -21.32 64.77 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 120.661 -1.275 . . . . 0.0 110.984 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.04 -11.27 12.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.365 1.466 . . . . 0.0 114.429 171.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 12.52 10.97 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.077 1.751 . . . . 0.0 111.758 173.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.842 HD12 HD23 ' A' ' 97' ' ' LEU . 80.8 mt -106.07 -46.98 8.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.594 1.958 . . . . 0.0 106.838 168.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.684 ' CE2' HD22 ' A' ' 97' ' ' LEU . 3.0 m-85 -108.23 15.26 24.27 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 126.991 2.116 . . . . 0.0 112.039 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.472 ' HE3' ' CG2' ' A' ' 104' ' ' THR . 5.8 tttp 51.42 -168.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.672 0.789 . . . . 0.0 109.277 -166.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.795 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -163.16 159.6 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.319 -0.863 . . . . 0.0 109.072 157.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.472 ' CG2' ' HE3' ' A' ' 102' ' ' LYS . 25.2 p -140.73 126.03 18.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.239 0.472 . . . . 0.0 109.768 -170.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -62.1 -37.11 83.85 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 120.903 -1.123 . . . . 0.0 110.55 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.3 p -141.25 169.58 17.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.083 1.353 . . . . 0.0 108.591 -172.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.439 HG22 ' HD2' ' A' ' 14' ' ' LYS . 9.5 p -59.04 -24.0 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.734 174.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.5 -8.23 59.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.243 1.417 . . . . 0.0 112.702 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -8.17 52.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.947 0.794 . . . . 0.0 111.21 167.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 C-N-CA 123.963 0.905 . . . . 0.0 113.266 -171.336 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.0 t30 45.37 75.18 0.11 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.492 1.517 . . . . 0.0 112.037 -169.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -145.7 -65.7 0.31 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 171.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.38 122.1 13.72 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.81 0.844 . . . . 0.0 110.263 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -142.56 159.05 43.0 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 126.502 1.921 . . . . 0.0 110.961 -170.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 mt -139.85 129.6 24.57 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.689 1.596 . . . . 0.0 108.245 -176.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.72 84.54 2.29 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.124 0.97 . . . . 0.0 109.592 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.45 143.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 125.215 1.406 . . . . 0.0 108.512 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.41 139.16 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 167.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -129.62 47.31 2.51 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.839 0.856 . . . . 0.0 110.144 -177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -67.25 173.77 3.67 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.731 1.212 . . . . 0.0 111.139 168.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.7 t70 40.22 -94.0 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.839 2.856 . . . . 0.0 112.124 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -155.38 41.94 0.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.372 1.869 . . . . 0.0 109.316 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HD3' HG21 ' A' ' 48' ' ' VAL . 19.3 ttmm -151.78 144.15 24.09 Favored 'General case' 0 C--N 1.344 0.355 0 O-C-N 119.353 -2.092 . . . . 0.0 109.803 176.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.43 9.93 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.175 1.79 . . . . 0.0 109.339 -172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -112.34 118.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -169.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.637 HG13 HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -124.38 111.89 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 C-N-CA 123.463 0.705 . . . . 0.0 110.372 -167.246 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -78.04 102.77 7.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 C-N-CA 125.076 1.35 . . . . 0.0 108.341 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.31 143.46 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 170.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' HA ' ' HB3' ' A' ' 53' ' ' SER . 29.9 mt-30 -130.85 130.56 43.76 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 127.276 2.23 . . . . 0.0 107.883 173.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.63 -177.11 16.72 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.413 1.483 . . . . 0.0 109.523 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.9 m-20 -129.19 109.42 11.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 126.358 1.863 . . . . 0.0 106.699 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.94 134.98 28.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -173.02 -175.61 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -162.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.25 63.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 125.281 1.433 . . . . 0.0 112.847 172.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -8.32 59.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -134.61 -49.67 0.77 Allowed 'General case' 0 C--O 1.209 -1.051 0 CA-C-O 115.616 -2.135 . . . . 0.0 111.403 -160.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.1 p -47.6 -51.49 21.01 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.611 2.005 . . . . 0.0 109.628 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -48.14 -30.85 4.96 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.962 2.905 . . . . 0.0 114.952 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -60.49 1.52 Allowed 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 125.573 1.549 . . . . 0.0 109.746 178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.272 16.9 tp -29.31 -42.7 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 129.838 3.255 . . . . 0.0 112.294 169.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tmpt? -59.88 -47.6 85.11 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -33.3 75.48 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.782 0.833 . . . . 0.0 109.066 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -82.29 -45.1 15.41 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 -167.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.659 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -63.27 -40.77 98.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.952 0.901 . . . . 0.0 112.354 171.039 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.64 -50.12 71.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -62.8 -43.29 99.18 Favored 'General case' 0 C--N 1.342 0.268 0 O-C-N 122.114 -0.366 . . . . 0.0 110.859 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.9 t80 -53.08 -50.35 64.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.537 1.135 . . . . 0.0 109.907 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.8 mt -60.1 -31.78 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.4 -0.809 . . . . 0.0 112.73 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.1 t -72.24 -28.18 62.99 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.309 0.959 . . . . 0.0 109.776 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.44 0.22 4.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -153.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -92.41 126.93 37.71 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.8 -5.3 50.33 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.001 -1.062 . . . . 0.0 112.488 172.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 128.87 34.13 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.79 -21.64 66.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.337 168.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.18 108.23 19.19 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.627 1.103 . . . . 0.0 108.857 -168.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.94 134.91 39.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 C-N-CA 126.648 1.979 . . . . 0.0 106.237 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.557 HG21 ' HD3' ' A' ' 14' ' ' LYS . 99.5 t -128.18 97.83 4.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 127.476 2.311 . . . . 0.0 105.107 174.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.637 HD12 HG13 ' A' ' 17' ' ' VAL . 10.6 tp -79.75 102.93 9.32 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.409 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.65 100.08 12.54 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.633 1.173 . . . . 0.0 109.063 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -82.04 8.94 9.39 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.887 -1.054 . . . . 0.0 113.424 -173.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -58.73 -3.66 0.34 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -162.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.427 ' HB3' ' HA ' ' A' ' 20' ' ' GLN . 8.1 t -101.77 -34.64 9.36 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.191 -1.568 . . . . 0.0 111.568 169.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 22' ' ' ASP . 2.2 t -68.12 129.37 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -176.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -127.22 -30.99 2.6 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 117.613 -1.184 . . . . 0.0 112.147 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -77.1 -95.8 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 123.686 0.795 . . . . 0.0 111.355 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . 0.405 23.1 ttp 78.56 102.07 0.07 Allowed 'General case' 0 N--CA 1.425 -1.679 0 C-N-CA 127.125 2.17 . . . . 0.0 116.769 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -79.48 169.53 17.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 113.973 -1.467 . . . . 0.0 108.357 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.85 -26.86 68.52 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.466 1.03 . . . . 0.0 112.677 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.34 -20.32 67.15 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 118.669 -1.073 . . . . 0.0 113.424 -176.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.52 HD21 HG22 ' A' ' 91' ' ' ILE . 7.6 mt -61.16 -57.4 12.63 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.407 1.104 . . . . 0.0 109.232 173.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.84 -29.85 65.3 Favored Glycine 0 CA--C 1.523 0.538 0 CA-C-O 118.007 -1.44 . . . . 0.0 112.987 -176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.1 m -51.65 -54.25 29.97 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.538 1.669 . . . . 0.0 109.583 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.27 -33.72 76.48 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 119.598 1.09 . . . . 0.0 110.594 -174.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 t -66.74 -37.15 78.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 O-C-N 122.148 -0.345 . . . . 0.0 110.152 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -60.02 -51.84 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 O-C-N 121.186 -0.946 . . . . 0.0 109.018 168.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.659 HG21 HD12 ' A' ' 35' ' ' LEU . 3.3 mm -57.74 -40.6 76.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -172.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.06 -55.26 36.16 Favored 'General case' 0 CA--C 1.519 -0.231 0 O-C-N 121.261 -0.899 . . . . 0.0 110.761 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -50.32 -38.0 39.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.065 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.04 -44.32 80.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.216 1.407 . . . . 0.0 111.049 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.82 47.23 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.171 1.388 . . . . 0.0 110.129 171.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -71.0 -38.22 72.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.309 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.24 -28.55 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.296 1.038 . . . . 0.0 111.854 172.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -99.1 -7.08 27.23 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.281 1.032 . . . . 0.0 112.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.85 62.52 6.14 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 126.816 2.151 . . . . 0.0 112.221 -174.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -146.11 179.25 7.62 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.062 0.945 . . . . 0.0 112.358 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -93.3 164.8 13.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 123.064 1.412 . . . . 0.0 108.832 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -151.59 107.88 3.44 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.421 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 102' ' ' LYS . 4.6 mt -123.55 150.57 27.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -118.78 167.77 11.37 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 123.533 0.733 . . . . 0.0 109.736 178.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t -162.12 162.4 28.53 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.295 1.038 . . . . 0.0 109.281 -159.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m 52.53 57.77 6.07 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.855 2.462 . . . . 0.0 114.049 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD21 HG12 ' A' ' 103' ' ' ILE . 3.3 mp -75.9 99.17 4.42 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 130.743 3.617 . . . . 0.0 112.557 -176.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.21 154.94 25.94 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.743 170.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -60.43 -37.79 82.01 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.659 1.118 . . . . 0.0 112.572 -165.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -77.25 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.614 1.166 . . . . 0.0 110.518 166.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 91' ' ' ILE . 26.1 mm -40.38 -52.58 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.163 0 C-N-CA 127.633 2.373 . . . . 0.0 110.114 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.9 t -44.42 -63.33 0.91 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.95 1.7 . . . . 0.0 110.142 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -37.5 70.23 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 118.885 0.766 . . . . 0.0 111.308 -172.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 88' ' ' ILE . 26.1 mt -62.27 -38.08 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.414 1.485 . . . . 0.0 108.421 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' CD1' HD23 ' A' ' 84' ' ' LEU . 8.0 mt -67.97 -35.02 77.66 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 109.382 178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -16.13 57.04 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 169.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mp -59.87 -69.15 0.23 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 122.231 2.287 . . . . 0.0 108.203 175.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -74.63 9.11 1.94 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.261 1.424 . . . . 0.0 111.121 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 53.4 m80 46.03 38.64 4.88 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.604 1.562 . . . . 0.0 111.544 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.843 HD23 HD12 ' A' ' 100' ' ' ILE . 86.0 mt -73.81 -21.09 60.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.462 1.105 . . . . 0.0 109.51 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -60.78 -6.26 1.68 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 125.82 1.648 . . . . 0.0 114.989 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.57 -0.87 8.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.435 1.494 . . . . 0.0 112.157 175.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.843 HD12 HD23 ' A' ' 97' ' ' LEU . 83.7 mt -96.99 -45.64 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.791 1.637 . . . . 0.0 108.407 173.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 97' ' ' LEU . 1.9 m-85 -111.51 21.02 16.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.884 2.074 . . . . 0.0 110.904 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 1.4 ttpt 46.64 -157.69 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.606 1.162 . . . . 0.0 109.429 -166.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.658 HG12 HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -175.6 157.41 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 C-N-CA 127.181 2.192 . . . . 0.0 107.867 160.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 72.5 p -139.49 132.55 29.57 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.95 -37.79 88.49 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 118.559 -1.256 . . . . 0.0 110.123 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -141.9 173.09 11.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 125.503 1.521 . . . . 0.0 109.724 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.0 p -63.25 -15.67 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.656 0.782 . . . . 0.0 111.812 171.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -22.36 59.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.411 1.084 . . . . 0.0 110.926 174.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.57 -0.08 54.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.469 0.708 . . . . 0.0 112.768 176.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.405 ' CB ' ' HZ2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.255 1.376 0 CA-C-N 119.551 1.069 . . . . 0.0 112.076 -167.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -137.25 77.3 1.63 Allowed 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.865 1.266 . . . . 0.0 107.904 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.6 -45.83 20.72 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 174.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.8 149.86 24.55 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.621 1.568 . . . . 0.0 109.618 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -137.36 157.15 47.22 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 127.018 2.127 . . . . 0.0 108.658 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -142.48 149.33 39.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 125.889 1.676 . . . . 0.0 107.117 170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.94 88.17 2.26 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 124.818 1.324 . . . . 0.0 107.909 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.08 138.58 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 125.618 1.567 . . . . 0.0 108.597 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.0 t -130.68 128.18 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 124.308 1.043 . . . . 0.0 108.265 169.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -135.75 87.59 2.33 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.044 -1.835 . . . . 0.0 106.044 162.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -138.88 96.44 3.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 166.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 144.38 -106.49 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.333 1 C-N-CA 131.795 4.038 . . . . 0.0 104.666 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -155.48 25.45 0.4 Allowed 'General case' 0 C--O 1.223 -0.295 0 O-C-N 119.996 -1.69 . . . . 0.0 110.246 -165.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -150.92 158.58 44.32 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.563 1.545 . . . . 0.0 107.902 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.96 89.3 3.08 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 125.973 1.709 . . . . 0.0 109.138 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -80.74 148.98 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' HB ' HD23 ' A' ' 49' ' ' LEU . 22.8 t -139.57 105.3 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.573 1.079 . . . . 0.0 111.307 168.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -73.44 79.3 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 127.607 2.363 . . . . 0.0 109.056 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.4 t -71.66 132.35 33.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -141.34 78.34 1.64 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.51 1.924 . . . . 0.0 106.155 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.95 131.67 1.81 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -78.39 153.55 31.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 78.3 mt -131.05 92.82 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.369 0.986 . . . . 0.0 109.398 -164.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -120.66 -170.05 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.905 2.082 . . . . 0.0 108.267 167.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.6 -19.46 2.34 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.529 1.532 . . . . 0.0 114.92 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.98 -18.42 59.31 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.998 1.272 . . . . 0.0 112.545 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -139.7 -37.46 0.49 Allowed 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.238 -1.363 . . . . 0.0 111.588 -152.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -48.66 -44.96 38.13 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 121.125 1.784 . . . . 0.0 109.065 168.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -49.02 63.7 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 127.814 2.446 . . . . 0.0 110.273 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.47 -59.58 2.72 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 126.119 1.768 . . . . 0.0 109.953 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -30.88 -46.45 0.08 Allowed 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 128.497 2.719 . . . . 0.0 109.642 170.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 33' ' ' GLU . 4.7 ttpt -59.93 -53.56 56.43 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 118.688 -0.673 . . . . 0.0 112.447 -178.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.417 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.2 tt0 -54.54 -43.53 72.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.527 0.731 . . . . 0.0 110.277 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -73.6 -42.37 61.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -167.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.697 HD12 HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -66.91 -39.99 87.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 125.465 1.506 . . . . 0.0 112.355 174.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.18 -52.33 66.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.31 99.09 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-O 119.057 -0.497 . . . . 0.0 111.689 176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' HD2' HD13 ' A' ' 35' ' ' LEU . 2.9 t80 -52.49 -58.18 7.56 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.179 1.392 . . . . 0.0 109.836 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -33.51 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 O-C-N 121.203 -0.936 . . . . 0.0 110.917 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -44.88 90.72 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.214 0.915 . . . . 0.0 110.364 174.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -77.75 -52.06 9.54 Favored 'General case' 0 C--O 1.233 0.19 0 O-C-N 121.804 -0.56 . . . . 0.0 110.316 -172.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 t -48.91 129.24 17.03 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.757 2.023 . . . . 0.0 114.084 -157.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.9 m -71.88 -12.4 61.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.328 1.051 . . . . 0.0 113.585 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -102.61 138.54 39.38 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.756 1.623 . . . . 0.0 107.043 -165.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -63.23 -25.38 68.3 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.619 167.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 110.22 20.7 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 124.868 1.267 . . . . 0.0 108.319 -166.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.3 137.01 33.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -136.46 94.41 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.505 -0.75 0 C-N-CA 125.386 1.474 . . . . 0.0 108.179 -172.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD11 HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -88.38 93.22 9.45 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.001 -166.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.74 75.14 2.71 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.139 2.175 . . . . 0.0 110.292 -173.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.586 ' HB3' HG11 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -89.99 64.85 6.4 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 -179.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t -101.55 -12.46 18.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.582 -174.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.3 m -122.24 -7.32 8.79 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -176.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.586 HG11 ' HB3' ' A' ' 51' ' ' LEU . 4.5 p -57.47 157.57 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 120.354 -1.467 . . . . 0.0 110.118 149.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -141.32 -41.09 0.38 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.922 1.289 . . . . 0.0 110.302 162.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -77.52 135.7 38.24 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.8 ttm -145.59 129.11 17.0 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 167.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -107.95 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.09 96.32 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.927 -0.483 . . . . 0.0 110.453 170.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.24 -41.17 78.3 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 125.36 1.457 . . . . 0.0 112.666 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.507 HD21 HG22 ' A' ' 91' ' ' ILE . 64.6 mt -68.98 -44.23 73.31 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 118.178 0.989 . . . . 0.0 111.135 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.6 92.19 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-O 118.069 -1.406 . . . . 0.0 111.274 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -51.87 -52.67 47.96 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 119.593 1.696 . . . . 0.0 109.52 169.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.25 -34.31 72.07 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.052 1.751 . . . . 0.0 111.677 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -70.39 -30.62 43.75 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 O-C-N 120.981 -1.074 . . . . 0.0 112.116 174.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.67 -53.68 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.241 -1.537 . . . . 0.0 108.041 165.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.697 HG21 HD12 ' A' ' 35' ' ' LEU . 3.2 mm -55.28 -38.97 49.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.883 0.873 . . . . 0.0 109.791 -174.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.92 -50.5 73.52 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.829 -0.544 . . . . 0.0 111.447 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -53.81 -41.94 67.86 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.92 -41.27 97.69 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.213 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.01 -50.35 71.14 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 124.26 1.024 . . . . 0.0 111.106 172.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -36.09 69.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 117.379 -1.296 . . . . 0.0 111.5 -177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -55.52 -57.55 7.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 120.128 1.331 . . . . 0.0 108.61 170.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -69.26 -10.48 58.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.646 0.778 . . . . 0.0 112.213 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.71 66.58 2.6 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 127.213 2.34 . . . . 0.0 111.953 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -146.59 179.32 7.64 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.98 1.39 . . . . 0.0 112.315 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.79 89.56 3.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 126.745 2.018 . . . . 0.0 108.385 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.25 113.85 17.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.572 1.549 . . . . 0.0 108.478 176.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.436 HG12 ' HE2' ' A' ' 102' ' ' LYS . 8.3 mt -128.16 146.42 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HB2' HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -95.62 -178.38 4.38 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 177.344 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.77 167.12 19.23 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.125 -0.984 . . . . 0.0 111.2 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.0 m 66.45 48.43 1.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.897 1.679 . . . . 0.0 112.994 160.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -62.54 112.63 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.307 1.843 . . . . 0.0 111.527 -172.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -66.54 155.68 37.02 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.051 163.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -59.8 -34.79 73.5 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.387 0.994 . . . . 0.0 112.094 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 126.132 1.773 . . . . 0.0 108.619 167.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.5 mm -46.13 -55.48 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 128.216 2.607 . . . . 0.0 108.254 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.496 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 4.7 t -34.58 -67.38 0.14 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.595 1.958 . . . . 0.0 109.588 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -49.85 -44.14 49.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.235 1.014 . . . . 0.0 112.491 -177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.507 HG22 HD21 ' A' ' 62' ' ' LEU . 15.6 mt -64.71 -37.51 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.906 2.082 . . . . 0.0 108.986 -174.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.72 -36.94 85.9 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.8 -1.187 . . . . 0.0 109.19 173.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HE3' ' O ' ' A' ' 89' ' ' SER . 12.8 mmtp -66.4 -34.28 77.6 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 22.1 mt -55.27 -63.61 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.767 1.627 . . . . 0.0 110.655 -173.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.26 17.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 126.412 1.885 . . . . 0.0 112.148 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 p80 45.9 29.92 0.8 Allowed 'General case' 0 C--N 1.343 0.301 0 C-N-CA 127.501 2.32 . . . . 0.0 113.224 -174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.28 -25.01 64.94 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 123.68 0.792 . . . . 0.0 109.419 -176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -61.47 -16.22 45.06 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.915 2.086 . . . . 0.0 114.477 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -105.86 -3.52 21.8 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.703 1.592 . . . . 0.0 113.131 168.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.6 mt -92.66 -67.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -79.51 4.58 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.414 1.086 . . . . 0.0 112.488 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HE2' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER 52.16 -169.5 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.492 0.717 . . . . 0.0 109.231 -161.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -160.86 154.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 164.234 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.4 p -130.45 140.76 50.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 170.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -23.84 58.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.267 170.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.7 p -140.72 170.93 14.85 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 124.275 0.984 . . . . 0.0 113.332 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -71.45 -31.03 41.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.543 0.737 . . . . 0.0 111.1 170.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.88 -26.78 67.05 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.2 1.0 . . . . 0.0 110.348 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -89.69 6.89 39.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.096 1.358 . . . . 0.0 112.55 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.9 1.28 . . . . 0.0 111.345 -174.472 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttp . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -151.14 166.24 31.44 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 165.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -135.8 157.73 46.12 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.828 0.74 . . . . 0.0 109.548 166.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.4 142.29 17.73 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.24 1.016 . . . . 0.0 111.49 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -145.33 161.09 40.45 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 126.045 1.738 . . . . 0.0 109.699 169.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 mt -137.63 145.08 42.29 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 127.133 2.173 . . . . 0.0 106.528 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.41 33.48 5.58 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -174.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 mt -46.64 127.13 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.412 2.285 . . . . 0.0 113.042 -164.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' GLN . 11.2 t -136.87 153.68 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 127.592 2.357 . . . . 0.0 108.928 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -127.29 28.87 5.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 111.709 -176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' H ' HG12 ' A' ' 9' ' ' VAL . 12.7 tt0 -66.63 169.24 8.03 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.937 1.295 . . . . 0.0 111.225 173.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 60.05 10.99 2.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.957 2.103 . . . . 0.0 114.772 168.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 15.6 m-20 72.09 11.98 5.99 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 127.299 2.24 . . . . 0.0 113.682 -174.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HE3' ' HB3' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -102.67 175.05 5.62 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 166.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 153.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.1 mt -129.26 140.87 48.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.912 -2.625 . . . . 0.0 103.912 -169.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -146.1 100.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.659 0.742 . . . . 0.0 109.468 -176.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -76.3 106.84 8.15 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.918 1.287 . . . . 0.0 107.86 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.71 HG21 HD23 ' A' ' 51' ' ' LEU . 11.1 t -86.18 140.17 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -128.42 109.48 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.685 1.194 . . . . 0.0 108.5 173.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.08 -177.83 32.09 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 125.522 1.534 . . . . 0.0 109.6 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.19 131.93 50.58 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.175 1.39 . . . . 0.0 108.908 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -91.53 101.74 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 122.999 1.381 . . . . 0.0 108.378 -163.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -131.11 176.34 8.35 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 126.925 2.09 . . . . 0.0 105.824 170.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.14 -16.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 168.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -80.03 -15.99 56.04 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.008 1.276 . . . . 0.0 112.143 177.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -137.96 -34.22 0.67 Allowed 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.508 -168.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.4 p -55.0 -23.41 19.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 121.518 1.963 . . . . 0.0 110.427 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -54.18 -76.0 0.03 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 128.734 2.813 . . . . 0.0 110.998 163.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -81.07 -44.35 18.13 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.953 1.301 . . . . 0.0 113.555 -170.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -41.55 -38.11 1.26 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 125.208 1.403 . . . . 0.0 111.669 167.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.94 -52.27 45.05 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.724 -0.791 . . . . 0.0 111.185 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.24 -30.88 71.94 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.585 0.754 . . . . 0.0 111.31 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -81.94 -41.74 20.41 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -61.29 -38.32 86.37 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.586 -0.696 . . . . 0.0 112.095 168.032 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -68.03 -19.69 64.92 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.48 -0.762 . . . . 0.0 111.657 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -80.45 -47.94 13.59 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 119.497 1.044 . . . . 0.0 110.619 166.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.2 t80 -46.48 -57.06 5.06 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 126.271 1.829 . . . . 0.0 109.197 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -24.58 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.887 0.875 . . . . 0.0 113.165 -177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -76.04 -56.26 4.83 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 119.272 0.942 . . . . 0.0 109.743 169.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 t -77.21 -15.5 59.46 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.458 1.123 . . . . 0.0 113.19 -164.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.414 HG21 HD11 ' A' ' 47' ' ' ILE . 9.7 t -56.14 -25.98 48.35 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.334 2.254 . . . . 0.0 116.681 -169.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.12 -54.7 0.39 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 121.628 2.013 . . . . 0.0 114.348 -171.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt -78.46 140.84 38.6 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 127.182 2.193 . . . . 0.0 105.114 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -83.73 -15.0 50.26 Favored 'General case' 0 C--O 1.221 -0.412 0 O-C-N 121.678 -0.639 . . . . 0.0 109.879 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 120.02 34.63 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.414 HD11 HG21 ' A' ' 42' ' ' THR . 1.7 mp -115.59 133.13 62.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.84 123.15 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -115.53 85.75 2.34 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 121.636 0.731 . . . . 0.0 110.754 -161.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.97 83.98 5.79 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.22 -165.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.71 HD23 HG21 ' A' ' 19' ' ' VAL . 9.1 mt -84.03 28.33 0.61 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.029 1.331 . . . . 0.0 110.997 -174.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 19.3 p -68.09 -9.82 49.23 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -164.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -33.5 17.04 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.216 -0.928 . . . . 0.0 109.984 172.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 t -66.33 119.8 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.96 1.704 . . . . 0.0 109.014 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 m -113.97 -10.2 12.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.039 1.336 . . . . 0.0 112.996 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -138.24 141.47 39.93 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 126.273 1.829 . . . . 0.0 107.035 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.3 ttm -151.47 103.05 2.94 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.877 1.271 . . . . 0.0 109.279 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.07 -179.08 6.47 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.002 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.14 74.65 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 122.837 0.455 . . . . 0.0 112.038 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.04 -46.91 93.34 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 123.88 0.752 . . . . 0.0 112.483 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.612 HD22 HD12 ' A' ' 97' ' ' LEU . 12.9 mt -66.14 -44.06 85.24 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 119.156 -0.449 . . . . 0.0 110.635 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.1 -35.07 91.59 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 118.735 -1.036 . . . . 0.0 112.16 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -55.47 -52.42 63.7 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 119.305 1.552 . . . . 0.0 110.158 169.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD13 HD21 ' A' ' 81' ' ' LEU . 89.0 mt -58.31 -31.41 67.5 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.965 1.711 . . . . 0.0 111.598 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.38 -40.94 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 121.316 -0.865 . . . . 0.0 110.98 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.64 -51.02 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 119.282 0.946 . . . . 0.0 108.559 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.828 HG21 HD12 ' A' ' 35' ' ' LEU . 4.7 mm -59.11 -43.1 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 122.762 0.425 . . . . 0.0 109.859 -174.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.12 -52.1 66.63 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 118.399 0.545 . . . . 0.0 110.386 176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -51.03 -42.27 60.35 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.32 -33.65 76.21 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.052 0.541 . . . . 0.0 112.179 -178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.91 -49.78 72.51 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 124.838 1.255 . . . . 0.0 110.425 169.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt -69.09 -35.54 76.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 117.964 -1.017 . . . . 0.0 111.843 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.72 -47.01 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 119.273 0.942 . . . . 0.0 109.752 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.509 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 19.7 m-80 -82.58 2.83 31.25 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.917 0.887 . . . . 0.0 113.178 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.28 49.42 78.74 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 126.869 2.176 . . . . 0.0 111.718 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 75' ' ' ASN . 1.4 ptpm? -139.08 -179.58 5.93 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.311 1.045 . . . . 0.0 110.37 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.92 165.48 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.746 1.218 . . . . 0.0 108.661 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -149.7 108.79 3.91 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 2.7 mt -114.9 150.2 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 172.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 65' ' ' LEU . 6.5 mt -84.35 -144.31 0.08 Allowed 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 117.493 -1.241 . . . . 0.0 107.835 176.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 166.72 160.56 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 128.855 2.862 . . . . 0.0 110.486 155.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 52' ' ' SER . 72.5 m 65.17 64.41 0.62 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.898 1.679 . . . . 0.0 111.465 175.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.776 HD21 HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -81.11 103.78 11.14 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.806 2.042 . . . . 0.0 110.556 -176.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -64.5 163.18 13.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.934 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.06 -25.59 58.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.319 1.848 . . . . 0.0 113.156 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -77.73 -71.25 0.43 Allowed 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 165.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mm -49.94 -51.52 16.32 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 126.727 2.011 . . . . 0.0 108.683 -164.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.5 t -48.31 -63.06 1.18 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.557 1.071 . . . . 0.0 110.012 -175.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -42.11 57.77 Favored 'General case' 0 CA--C 1.515 -0.391 0 C-N-CA 123.519 0.727 . . . . 0.0 111.839 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.84 -48.4 86.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.08 -32.18 63.9 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 119.361 -2.087 . . . . 0.0 110.805 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -76.81 -32.58 57.71 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -18.18 61.81 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.547 1.939 . . . . 0.0 112.902 -174.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.85 3.36 12.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 128.908 2.883 . . . . 0.0 111.519 177.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 m170 57.54 24.61 10.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.284 1.833 . . . . 0.0 113.026 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.612 HD12 HD22 ' A' ' 62' ' ' LEU . 56.8 mt -64.31 -23.46 67.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.843 -1.161 . . . . 0.0 110.575 176.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -14.11 16.13 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 175.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -109.22 -1.5 18.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.322 0.964 . . . . 0.0 112.241 172.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.58 -39.1 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.373 1.469 . . . . 0.0 107.518 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.0 OUTLIER -110.61 10.8 22.93 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 126.038 1.735 . . . . 0.0 111.46 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.0 tttp 50.7 -166.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.775 0.716 . . . . 0.0 109.653 -162.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.776 HG12 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -159.91 165.54 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.185 154.072 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 p -149.22 147.57 28.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -174.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.47 -26.35 55.28 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.929 173.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.6 p -145.89 162.25 38.17 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.07 -28.98 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 122.584 0.354 . . . . 0.0 110.82 169.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.95 -12.82 60.82 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.118 1.367 . . . . 0.0 113.156 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.36 -1.87 53.06 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.161 1.346 . . . . 0.0 112.311 173.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.579 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.173 1.389 . . . . 0.0 110.002 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 ttp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -144.21 130.16 19.42 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.705 1.602 . . . . 0.0 109.004 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -81.88 -40.83 21.83 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.179 0.992 . . . . 0.0 110.989 171.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.412 HD13 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -85.14 162.22 19.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.907 0.483 . . . . 0.0 112.254 -153.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.36 171.88 16.79 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.976 0.807 . . . . 0.0 112.524 -177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.2 mt -136.24 145.87 46.1 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.086 2.154 . . . . 0.0 108.465 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.04 79.02 1.87 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 mt -82.91 123.66 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 123.634 0.773 . . . . 0.0 109.255 -174.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -130.07 145.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 125.963 1.705 . . . . 0.0 107.725 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.98 19.87 10.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.147 1.379 . . . . 0.0 112.774 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 25.29 -66.88 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.503 1 C-N-CA 132.88 4.472 . . . . 0.0 116.985 164.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -153.02 -62.66 0.15 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 157.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -103.85 -21.53 13.64 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -170.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HE2' ' HB3' ' A' ' 110' ' ' ALA . 3.4 mttp -107.82 171.67 7.27 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.058 2.143 . . . . 0.0 108.314 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.01 142.98 50.25 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 108.165 155.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mt -142.56 121.5 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 104.358 -2.46 . . . . 0.0 104.358 -167.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -130.04 105.76 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 118.348 0.522 . . . . 0.0 109.692 -169.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.92 98.59 4.95 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 124.03 0.932 . . . . 0.0 108.699 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.4 t -62.79 139.44 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 169.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -127.46 131.75 50.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.68 1.992 . . . . 0.0 106.9 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.88 -139.77 11.34 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.644 ' HA ' HG13 ' A' ' 54' ' ' VAL . 8.4 m-20 -141.5 179.58 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.622 2.769 . . . . 0.0 106.086 171.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.638 HD12 HG11 ' A' ' 54' ' ' VAL . 62.4 mt -131.9 94.07 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 -177.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -149.74 -168.39 3.09 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 120.856 -1.152 . . . . 0.0 108.676 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.66 -5.07 4.93 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.733 1.151 . . . . 0.0 113.694 -176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -85.95 -7.82 58.41 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.224 0.92 . . . . 0.0 112.502 170.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -150.19 -52.84 0.15 Allowed 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 117.446 -1.264 . . . . 0.0 111.149 -153.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -39.45 -47.4 1.82 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 126.898 2.079 . . . . 0.0 109.874 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.6 -42.63 79.06 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.934 2.094 . . . . 0.0 113.272 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -94.94 -53.7 3.74 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 127.101 2.16 . . . . 0.0 108.567 -170.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 23' ' ' ILE . 5.5 tp -41.02 -35.93 0.6 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.933 1.693 . . . . 0.0 111.929 163.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.95 -53.13 43.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 119.056 0.843 . . . . 0.0 111.666 173.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.56 -20.15 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.693 1.197 . . . . 0.0 111.736 -175.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.35 -46.85 5.37 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.231 1.412 . . . . 0.0 107.276 -170.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.453 HD13 HD21 ' A' ' 49' ' ' LEU . 33.1 mt -66.57 -25.22 66.53 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 169.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.64 -59.34 4.99 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 167.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -41.17 92.83 Favored 'General case' 0 CA--C 1.521 -0.173 0 O-C-N 123.274 0.359 . . . . 0.0 111.241 -174.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 5.8 t80 -52.49 -47.27 66.66 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.732 1.213 . . . . 0.0 111.908 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 71' ' ' ASP . 8.7 mm -62.14 -36.83 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.372 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -46.47 63.89 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 118.454 -0.784 . . . . 0.0 111.894 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.9 p -69.94 -43.28 71.92 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 119.387 0.994 . . . . 0.0 110.356 -170.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 t -64.27 141.06 58.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.047 0.939 . . . . 0.0 111.391 -169.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -103.27 -0.8 29.82 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.366 -0.834 . . . . 0.0 112.94 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 14.4 mmmt -79.39 142.17 36.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 172.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -91.03 -10.93 40.41 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 119.637 -0.22 . . . . 0.0 111.016 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 123.75 48.08 Favored 'General case' 0 CA--C 1.511 -0.521 0 C-N-CA 127.012 2.125 . . . . 0.0 106.046 177.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mm -128.65 106.34 14.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 -167.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.8 t -104.13 108.57 24.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 HG13 ' A' ' 17' ' ' VAL . 7.2 tp -86.97 121.21 29.12 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -106.9 106.92 17.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -170.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.21 12.08 32.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.212 -173.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 p -52.4 -26.06 11.55 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -168.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -48.58 11.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.075 1.35 . . . . 0.0 110.402 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.644 HG13 ' HA ' ' A' ' 22' ' ' ASP . 61.6 t -59.7 124.01 13.19 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 126.956 2.102 . . . . 0.0 109.206 -172.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -102.93 -24.81 13.64 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.868 0.867 . . . . 0.0 112.659 -175.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -134.47 145.4 48.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.85 1.66 . . . . 0.0 109.833 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.504 ' HB3' HD13 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.75 115.37 12.83 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.853 1.261 . . . . 0.0 108.534 174.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.31 172.05 14.33 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.44 -27.43 69.28 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.244 0.617 . . . . 0.0 112.244 171.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' HG22 ' A' ' 23' ' ' ILE . . . -71.5 -37.76 62.21 Favored Glycine 0 N--CA 1.448 -0.523 0 O-C-N 121.361 -0.837 . . . . 0.0 112.628 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.663 HD21 HG22 ' A' ' 91' ' ' ILE . 6.9 mt -59.1 -53.92 52.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.53 -21.91 69.22 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-O 118.249 -1.306 . . . . 0.0 113.367 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.44 -44.17 75.49 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 119.849 1.824 . . . . 0.0 110.395 170.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.49 -33.87 71.88 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.66 2.482 . . . . 0.0 110.676 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.56 -22.34 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 122.988 0.515 . . . . 0.0 110.856 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.44 -46.22 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 O-C-N 120.264 -1.522 . . . . 0.0 110.586 170.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.22 -36.31 73.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.55 -52.92 63.6 Favored 'General case' 0 C--N 1.342 0.254 0 O-C-N 121.516 -0.74 . . . . 0.0 112.291 166.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -51.5 -41.53 61.03 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 118.645 0.657 . . . . 0.0 109.88 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.525 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -68.42 -39.56 81.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.943 178.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.78 -44.49 73.75 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.546 1.138 . . . . 0.0 110.674 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.89 -39.75 83.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.823 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.8 -30.82 50.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 123.71 0.804 . . . . 0.0 112.422 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.511 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 33.4 m-80 -95.9 -6.82 38.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.889 0.875 . . . . 0.0 112.162 177.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.38 64.16 3.8 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 126.766 2.126 . . . . 0.0 111.447 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' HE3' ' HB3' ' A' ' 75' ' ' ASN . 7.9 ptpt -146.57 169.5 18.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 123.663 0.785 . . . . 0.0 111.452 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -80.48 170.66 16.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.694 1.198 . . . . 0.0 108.657 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -157.07 111.62 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mt -124.97 155.71 33.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 125.654 1.582 . . . . 0.0 108.731 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -125.0 169.49 12.07 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.651 0.781 . . . . 0.0 109.447 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 t -164.8 162.95 21.31 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -159.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m 49.95 65.11 1.52 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 123.46 1.6 . . . . 0.0 112.853 175.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD21 HG12 ' A' ' 103' ' ' ILE . 1.8 mp -76.83 95.85 4.16 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.759 1.624 . . . . 0.0 112.085 -170.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.38 83.29 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 125.315 1.446 . . . . 0.0 109.61 -175.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 27.02 -77.06 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.995 3.718 . . . . 0.0 115.528 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.488 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -39.49 -69.09 0.14 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.037 1.335 . . . . 0.0 110.082 166.845 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.442 HD11 HG12 ' A' ' 54' ' ' VAL . 1.7 mp -49.06 -52.42 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.423 ' CB ' ' HB3' ' A' ' 84' ' ' LEU . 3.5 t -43.57 -65.54 0.48 Allowed 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 175.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HA ' ' HE3' ' A' ' 93' ' ' LYS . 29.8 ptt85 -61.74 -40.76 96.26 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 120.987 -1.071 . . . . 0.0 112.435 -166.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.663 HG22 HD21 ' A' ' 62' ' ' LEU . 25.1 mt -52.19 -39.54 27.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 126.971 2.108 . . . . 0.0 109.915 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 103' ' ' ILE . 5.9 mt -69.37 -39.62 77.94 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 120.498 -1.376 . . . . 0.0 109.558 178.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -75.76 -14.85 60.33 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.93 -71.2 0.16 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 120.587 1.539 . . . . 0.0 108.163 175.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.39 11.24 4.63 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.916 0.886 . . . . 0.0 111.061 -176.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.8 m80 61.45 25.54 15.46 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.801 1.64 . . . . 0.0 112.192 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.709 HD23 HD12 ' A' ' 100' ' ' ILE . 84.2 mt -60.6 -21.56 62.8 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.754 -1.216 . . . . 0.0 112.435 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.07 -7.0 2.22 Favored 'General case' 0 CA--C 1.559 1.3 0 CA-C-N 119.58 1.082 . . . . 0.0 111.856 168.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -107.59 -0.06 22.26 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 117.756 -3.09 . . . . 0.0 113.229 166.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.709 HD12 HD23 ' A' ' 97' ' ' LEU . 96.3 mt -105.48 -33.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 126.365 1.866 . . . . 0.0 109.027 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CD2' HD11 ' A' ' 81' ' ' LEU . 4.6 m-85 -122.58 7.49 9.49 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 127.359 2.264 . . . . 0.0 112.684 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 10.2 ttpp 48.33 -159.44 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -163.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.629 HG12 HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -174.76 156.8 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 126.908 2.083 . . . . 0.0 107.49 165.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.5 p -137.5 142.14 41.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -41.06 81.0 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 117.579 -1.648 . . . . 0.0 108.552 166.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 37.9 p -139.62 163.6 32.13 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.618 0.767 . . . . 0.0 111.715 -172.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.2 p -54.89 -28.92 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.548 1.939 . . . . 0.0 111.714 173.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.99 -9.56 58.55 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.222 1.409 . . . . 0.0 112.052 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.81 3.75 37.07 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.781 1.232 . . . . 0.0 112.94 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.583 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.746 0.819 . . . . 0.0 110.656 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 mtt . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -151.97 168.45 25.15 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 126.788 2.035 . . . . 0.0 107.668 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -118.92 -53.58 2.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.592 1.557 . . . . 0.0 108.864 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.78 139.89 58.81 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.149 1.78 . . . . 0.0 110.47 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -136.67 164.62 27.8 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 126.562 1.945 . . . . 0.0 110.338 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -150.52 95.61 2.26 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 126.303 1.841 . . . . 0.0 108.026 -164.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.44 73.44 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.56 -165.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 mt -78.4 124.44 36.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.023 1.329 . . . . 0.0 108.981 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.9 t -134.43 147.9 29.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 127.307 2.243 . . . . 0.0 106.678 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -129.36 -91.61 0.46 Allowed 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.3 0.64 . . . . 0.0 110.531 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 25.79 66.14 0.06 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.619 3.168 . . . . 0.0 113.232 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 179.21 -106.75 0.0 OUTLIER 'General case' 0 C--O 1.236 0.371 0 N-CA-C 103.733 -2.692 . . . . 0.0 103.733 157.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -150.42 48.13 0.89 Allowed 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.55 1.54 . . . . 0.0 110.7 173.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -154.78 127.96 8.34 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 126.784 2.034 . . . . 0.0 108.067 166.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.07 125.67 35.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.2 mt -125.54 134.16 67.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 104.86 -2.274 . . . . 0.0 104.86 -174.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG13 HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -136.09 109.31 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 13.0 mtp180 -79.84 96.33 6.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.8 t -66.33 124.09 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -138.56 112.84 8.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.041 1.336 . . . . 0.0 107.982 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.62 148.58 10.53 Favored Glycine 0 CA--C 1.51 -0.228 0 N-CA-C 108.229 -1.948 . . . . 0.0 108.229 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.47 169.24 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.825 1.25 . . . . 0.0 110.759 -163.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.54 HG23 HD22 ' A' ' 31' ' ' LEU . 96.4 mt -127.67 13.83 3.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.89 -0.506 . . . . 0.0 110.537 -160.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.25 -167.7 1.11 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.937 -2.352 . . . . 0.0 110.178 -169.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.83 -6.4 0.77 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 119.879 -1.763 . . . . 0.0 114.373 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -86.99 -12.12 48.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 120.412 1.46 . . . . 0.0 112.112 170.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -142.26 -36.38 0.41 Allowed 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.419 -167.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 p -48.72 -41.42 31.91 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 122.934 2.606 . . . . 0.0 109.898 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.87 -41.54 3.33 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.715 2.406 . . . . 0.0 113.597 170.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -108.41 -43.85 4.24 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 120.068 1.304 . . . . 0.0 112.814 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -42.19 -39.94 2.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 125.179 1.392 . . . . 0.0 109.608 168.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -61.63 -54.22 45.72 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.8 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -65.15 -31.13 72.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.762 0.71 . . . . 0.0 111.564 -174.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -81.3 -39.58 24.97 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -173.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.94 -31.25 69.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 112.781 171.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -52.62 64.51 Favored 'General case' 0 CA--C 1.518 -0.264 0 O-C-N 121.088 -1.008 . . . . 0.0 108.752 171.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.68 -37.6 84.7 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.371 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.58 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.5 t80 -52.69 -52.27 56.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.987 0.515 . . . . 0.0 109.923 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.6 mm -58.76 -33.74 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.348 0.659 . . . . 0.0 111.709 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -77.2 -19.97 55.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.442 1.097 . . . . 0.0 113.864 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -114.27 17.19 17.73 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.914 1.285 . . . . 0.0 109.973 -171.115 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -123.94 104.03 8.68 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.764 -1.21 . . . . 0.0 110.082 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -73.14 14.37 0.31 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.56 -1.337 . . . . 0.0 113.581 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -102.26 134.71 45.11 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 119.893 -1.755 . . . . 0.0 107.572 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -66.41 -6.91 16.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.268 171.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' C ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -133.61 118.1 17.82 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.099 1.76 . . . . 0.0 107.976 -165.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 46' ' ' LYS . 1.8 mp -119.76 131.76 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -176.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.9 t -127.81 98.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 128.0 2.52 . . . . 0.0 105.866 -172.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.63 HD12 HG13 ' A' ' 17' ' ' VAL . 8.8 tp -88.25 100.84 13.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.34 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 2.7 t70 -96.21 117.6 31.09 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 123.782 0.833 . . . . 0.0 111.341 -165.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' HB3' HG12 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -120.9 21.04 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.97 -0.456 . . . . 0.0 111.585 -168.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -49.83 -37.76 32.0 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.462 0.705 . . . . 0.0 111.073 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 m -76.25 -45.37 33.11 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' A' ' 51' ' ' LEU . 3.4 p -72.79 -178.75 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.153 0.502 . . . . 0.0 110.183 -168.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -155.58 -34.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.616 -1.303 . . . . 0.0 111.276 165.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.13 126.21 31.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -170.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.4 ttm -147.99 152.85 38.17 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 165.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -134.57 175.75 9.25 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 129.929 3.291 . . . . 0.0 107.327 -173.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.27 82.44 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.938 0.79 . . . . 0.0 111.55 170.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.77 -37.52 39.21 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 125.357 1.456 . . . . 0.0 113.066 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 91' ' ' ILE . 15.9 mt -64.4 -52.35 58.64 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 117.845 0.823 . . . . 0.0 110.601 -170.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 67' ' ' VAL . . . -61.85 -21.21 60.75 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-O 117.911 -1.494 . . . . 0.0 111.915 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -65.88 -49.19 68.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 119.132 1.466 . . . . 0.0 110.082 171.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.0 mt -59.02 -35.53 73.43 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 121.483 1.947 . . . . 0.0 111.283 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -63.57 -35.17 71.68 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 123.525 0.73 . . . . 0.0 110.559 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 63' ' ' GLY . 74.0 t -64.69 -48.98 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 120.505 -1.372 . . . . 0.0 109.662 173.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mm -61.1 -36.06 69.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.41 -53.5 56.78 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.56 0.618 . . . . 0.0 110.578 170.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -51.69 -44.62 63.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 110.306 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -33.64 71.84 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.681 0.792 . . . . 0.0 110.725 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.72 -47.08 83.42 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.732 0.813 . . . . 0.0 110.607 171.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -77.06 -22.73 52.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.252 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 164.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -72.89 -4.5 32.36 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.816 0.846 . . . . 0.0 112.917 -173.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.07 53.29 5.79 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 126.419 1.961 . . . . 0.0 113.267 172.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.73 173.49 11.43 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.963 -1.316 . . . . 0.0 112.242 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.12 169.1 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.566 1.547 . . . . 0.0 109.477 167.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -161.87 106.08 1.23 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -170.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 33.4 mt -135.54 152.71 31.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 C-N-CA 124.7 1.2 . . . . 0.0 109.375 -169.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.47 167.13 10.55 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.664 0.745 . . . . 0.0 109.489 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 m -156.15 148.96 24.02 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.058 1.343 . . . . 0.0 109.947 -166.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.7 m 54.67 62.95 2.32 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 127.518 2.327 . . . . 0.0 114.252 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD21 HG12 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -73.85 99.14 3.13 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 129.094 2.958 . . . . 0.0 111.229 178.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -55.4 152.06 9.21 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.728 165.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -47.61 -53.79 13.7 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.752 1.615 . . . . 0.0 111.476 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.33 -71.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.403 1.881 . . . . 0.0 110.553 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -48.84 -52.03 10.59 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 C-N-CA 125.609 1.564 . . . . 0.0 108.885 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.426 ' O ' ' HE3' ' A' ' 93' ' ' LYS . 11.6 t -46.4 -56.92 5.17 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.4 1.48 . . . . 0.0 108.789 -171.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -41.38 85.16 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 120.275 1.398 . . . . 0.0 111.061 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.552 ' O ' HD21 ' A' ' 62' ' ' LEU . 65.7 mt -67.47 -7.04 5.73 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 O-C-N 125.383 1.677 . . . . 0.0 107.286 -171.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.7 mm? -92.67 -45.47 8.04 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 118.423 -2.673 . . . . 0.0 110.242 164.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' HE3' ' O ' ' A' ' 89' ' ' SER . 1.0 OUTLIER -67.5 -24.3 65.56 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.819 -1.176 . . . . 0.0 112.273 -175.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -60.98 -15.54 32.77 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 129.132 2.973 . . . . 0.0 114.982 -173.503 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 21.29 2.53 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.843 1.257 . . . . 0.0 111.39 172.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m170 52.63 31.03 9.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.002 0.921 . . . . 0.0 112.814 -176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.432 HD23 HD12 ' A' ' 100' ' ' ILE . 72.5 mt -62.18 -32.13 72.72 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 173.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.72 -6.72 8.52 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 126.813 2.045 . . . . 0.0 115.204 175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -119.15 -2.19 10.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.533 1.06 . . . . 0.0 112.528 167.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.432 HD12 HD23 ' A' ' 97' ' ' LEU . 78.9 mt -84.44 -65.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 165.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 2.9 m-30 -76.15 5.28 7.04 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.937 2.095 . . . . 0.0 112.55 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.99 -171.46 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.529 0.68 . . . . 0.0 110.258 -161.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.687 HG12 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -160.88 152.61 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 O-C-N 121.257 -0.902 . . . . 0.0 108.756 160.159 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -131.04 155.21 47.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.11 -48.18 58.71 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.344 -1.472 . . . . 0.0 108.826 168.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 p -143.24 164.41 30.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.36 1.064 . . . . 0.0 109.353 -166.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.23 -20.89 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.162 -171.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -13.87 62.48 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.504 0.593 . . . . 0.0 110.859 170.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.06 0.31 34.76 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.508 -0.745 . . . . 0.0 111.313 172.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 124.896 1.278 . . . . 0.0 109.615 170.509 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.59 -62.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 130.008 3.323 . . . . 0.0 112.27 -166.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 m120 76.11 -64.12 0.36 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.828 2.051 . . . . 0.0 109.86 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 tp -66.56 139.63 57.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.069 0.948 . . . . 0.0 108.519 162.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.37 156.23 48.02 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.595 1.958 . . . . 0.0 108.172 170.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.4 mt -137.65 135.2 36.31 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -132.11 84.55 2.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.34 0.591 . . . . 0.0 110.614 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -76.04 143.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 125.721 1.609 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.7 t -145.38 137.05 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 128.197 2.599 . . . . 0.0 107.957 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -142.51 57.85 1.44 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.597 1.09 . . . . 0.0 113.07 -167.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -86.56 -75.88 0.37 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.657 1.117 . . . . 0.0 111.396 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 14' ' ' LYS . 3.9 p-10 -74.2 46.83 0.26 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 129.108 2.963 . . . . 0.0 112.626 -168.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 59.11 -12.88 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 129.338 3.055 . . . . 0.0 115.41 -178.207 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 12' ' ' ASP . 14.7 ttmt -79.57 135.4 36.59 Favored 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 131.072 3.749 . . . . 0.0 106.127 166.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.37 132.97 33.79 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 151.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.5 mt -127.53 128.96 70.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.75 HG13 HD12 ' A' ' 49' ' ' LEU . 1.1 p -137.4 119.73 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 119.441 1.019 . . . . 0.0 110.326 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -75.56 105.5 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.898 0.879 . . . . 0.0 109.432 176.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.1 122.13 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 169.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -129.4 119.83 24.5 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 128.187 2.595 . . . . 0.0 106.05 -169.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.11 -153.33 24.78 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -146.24 16.34 1.34 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.739 1.616 . . . . 0.0 111.412 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.9 mt 25.75 61.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 131.687 3.995 . . . . 0.0 113.741 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.85 -176.65 5.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 120.539 -1.351 . . . . 0.0 109.794 172.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.52 -12.1 0.16 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.563 1.545 . . . . 0.0 114.238 158.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.9 0.29 57.15 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.532 1.933 . . . . 0.0 112.265 178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -153.16 -40.36 0.1 Allowed 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 117.488 -1.244 . . . . 0.0 111.774 -167.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -20.16 64.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.035 1.743 . . . . 0.0 112.746 -171.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -27.48 66.45 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.638 1.975 . . . . 0.0 110.956 169.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.74 -48.51 4.27 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 129.528 3.131 . . . . 0.0 109.995 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -36.69 -46.35 0.59 Allowed 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 127.07 2.148 . . . . 0.0 109.506 169.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.18 -50.23 74.5 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.592 0.558 . . . . 0.0 111.573 -175.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.23 -35.89 81.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.039 0.536 . . . . 0.0 110.358 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.93 -38.27 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -168.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -66.07 -43.24 87.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.314 1.045 . . . . 0.0 111.034 167.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -51.04 65.17 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -52.21 -49.54 63.71 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.834 1.653 . . . . 0.0 110.214 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.2 t80 -58.34 -55.07 39.73 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.145 1.378 . . . . 0.0 110.316 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.01 -31.22 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.216 1.406 . . . . 0.0 110.89 176.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -64.21 -57.89 8.17 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.204 1.001 . . . . 0.0 109.854 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -93.6 -12.35 29.67 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -158.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -58.25 -33.16 69.08 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.9 -12.42 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -156.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 13' ' ' ASP . 20.5 mmmt -79.32 135.42 36.73 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 121.569 1.986 . . . . 0.0 107.532 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.3 8.22 19.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.495 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.32 105.81 4.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 -171.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.58 123.68 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 N-CA-C 103.243 -2.873 . . . . 0.0 103.243 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.11 110.01 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD12 HG13 ' A' ' 17' ' ' VAL . 15.7 tp -103.66 96.71 6.9 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.19 -1.368 . . . . 0.0 107.669 -169.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -79.83 99.46 7.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.638 1.975 . . . . 0.0 107.012 -173.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.46 17.8 3.02 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 119.872 -1.767 . . . . 0.0 111.711 175.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -50.13 -36.96 31.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.263 1.025 . . . . 0.0 111.409 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.2 m -89.79 -29.47 18.64 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -169.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 p -66.38 -177.54 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 119.289 0.95 . . . . 0.0 108.788 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -147.42 -30.97 0.32 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.311 -2.118 . . . . 0.0 113.726 163.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -119.8 167.99 11.54 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.381 1.072 . . . . 0.0 108.343 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.2 ttm -169.25 125.67 0.91 Allowed 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.647 1.979 . . . . 0.0 107.788 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.77 172.31 13.02 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.985 0.914 . . . . 0.0 110.722 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.74 -45.89 77.91 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.561 -0.712 . . . . 0.0 110.251 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.73 -27.48 64.11 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.352 -1.249 . . . . 0.0 115.433 174.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 62' ' ' LEU . 6.5 tp -70.33 -59.9 2.6 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 120.108 1.954 . . . . 0.0 109.339 -176.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.72 -19.94 75.39 Favored Glycine 0 N--CA 1.437 -1.253 0 O-C-N 123.785 0.678 . . . . 0.0 112.161 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.1 m -52.06 -53.6 40.19 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.598 1.199 . . . . 0.0 109.298 169.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.21 -30.51 69.43 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 120.514 1.506 . . . . 0.0 111.252 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.72 -40.22 85.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 121.535 -0.728 . . . . 0.0 110.721 177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.24 -50.26 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 O-C-N 120.759 -1.213 . . . . 0.0 109.854 170.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 35' ' ' LEU . 3.3 mm -57.15 -43.8 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 -174.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.86 -54.79 43.18 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.881 0.764 . . . . 0.0 110.479 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -52.39 -38.35 58.7 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.845 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -43.89 91.3 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.193 0.997 . . . . 0.0 112.896 174.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.1 -52.19 27.3 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 125.261 1.424 . . . . 0.0 109.02 169.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -67.99 -41.73 81.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 118.079 -0.962 . . . . 0.0 112.192 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.5 mt -54.0 -43.52 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.602 1.561 . . . . 0.0 111.085 172.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -84.19 -6.92 59.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.125 0.97 . . . . 0.0 112.283 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.15 49.51 6.29 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-O 118.335 -1.258 . . . . 0.0 113.995 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.04 167.13 23.41 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.976 1.888 . . . . 0.0 113.399 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.17 170.92 15.82 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.4 1.08 . . . . 0.0 109.933 169.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -151.42 136.1 17.13 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.598 1.559 . . . . 0.0 107.895 174.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.1 mt -156.06 145.96 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 C-N-CA 128.121 2.569 . . . . 0.0 104.368 -169.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -123.36 172.03 8.97 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.105 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 m -161.97 154.8 20.2 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 125.548 1.539 . . . . 0.0 110.758 -158.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m 65.37 49.63 1.86 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.117 1.767 . . . . 0.0 113.725 167.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.554 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -71.89 110.0 6.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.705 2.402 . . . . 0.0 111.253 -174.02 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -70.22 156.54 39.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.073 -1.422 . . . . 0.0 110.566 168.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.21 -31.93 71.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 120.151 1.342 . . . . 0.0 114.112 -170.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -71.0 0.27 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 120.153 1.342 . . . . 0.0 108.303 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 91' ' ' ILE . 6.4 mm -45.24 -50.4 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 128.391 2.676 . . . . 0.0 109.887 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.7 t -48.43 -55.25 11.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.026 1.33 . . . . 0.0 108.845 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.38 -40.74 95.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 120.601 -1.312 . . . . 0.0 110.899 -175.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 88' ' ' ILE . 2.7 mt -55.22 -44.66 75.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.304 1.042 . . . . 0.0 109.626 174.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 103' ' ' ILE . 4.7 mt -61.98 -39.5 92.41 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.103 -0.998 . . . . 0.0 109.923 178.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -26.48 62.35 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 174.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 9.0 mt -56.07 -68.52 0.2 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 126.115 1.766 . . . . 0.0 108.251 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.74 12.72 0.98 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.722 1.609 . . . . 0.0 112.643 -178.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HB3' ' HE3' ' A' ' 99' ' ' LYS . 82.8 m-70 46.71 27.53 0.68 Allowed 'General case' 0 C--N 1.346 0.453 0 C-N-CA 126.416 1.887 . . . . 0.0 113.218 -170.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.3 -27.15 68.27 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.148 -0.97 . . . . 0.0 109.228 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -60.73 -16.34 38.92 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' HE3' ' HB3' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -92.01 -42.39 10.01 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 119.888 1.222 . . . . 0.0 110.051 165.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.7 mt -68.83 -34.13 62.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.312 1.445 . . . . 0.0 110.029 -167.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.637 ' HB2' HD21 ' A' ' 81' ' ' LEU . 4.5 m-85 -111.71 9.08 20.92 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 126.512 1.925 . . . . 0.0 111.312 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 49.6 -167.19 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -156.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.571 HD11 HD13 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -166.07 160.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 103.867 -2.642 . . . . 0.0 103.867 158.438 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 109' ' ' GLU . 43.2 p -136.15 154.12 51.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 119.918 1.236 . . . . 0.0 111.244 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.34 -49.96 56.65 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 p -134.1 165.67 24.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 122.147 0.975 . . . . 0.0 112.305 -169.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 15.0 p -56.92 -34.1 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.255 1.422 . . . . 0.0 109.936 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -71.7 -14.62 62.08 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.217 1.007 . . . . 0.0 112.343 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' HB2' ' HB ' ' A' ' 104' ' ' THR . 3.5 mp0 -85.24 -12.34 52.74 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.783 1.174 . . . . 0.0 112.612 170.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -172.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 120.497 0.189 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 26.64 63.5 0.08 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 129.795 3.238 . . . . 0.0 113.407 -172.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -99.84 -53.17 3.24 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 123.606 0.762 . . . . 0.0 108.981 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tt -67.66 144.37 55.54 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.888 0.875 . . . . 0.0 109.854 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.99 166.56 22.75 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.926 1.29 . . . . 0.0 110.364 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 mt -142.82 105.33 4.47 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.204 1.401 . . . . 0.0 107.781 -171.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.46 86.26 3.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG12 HG22 ' A' ' 17' ' ' VAL . 20.3 mt -84.0 138.71 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.5 t -142.82 120.05 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 119.563 1.074 . . . . 0.0 108.71 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' HB3' ' HZ2' ' A' ' 44' ' ' LYS . 52.9 mt-10 -82.66 87.83 6.72 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 166.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.92 -175.39 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.607 2.363 . . . . 0.0 109.921 167.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -36.7 -50.58 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.717 2.007 . . . . 0.0 113.523 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -140.0 -2.19 1.52 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.444 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -114.01 156.98 23.1 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.655 2.382 . . . . 0.0 109.22 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.16 110.02 21.99 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 129.043 2.937 . . . . 0.0 108.679 165.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -97.02 147.6 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 125.559 1.544 . . . . 0.0 107.613 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.585 HG21 ' CE2' ' A' ' 38' ' ' PHE . 97.6 t -133.11 101.66 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 119.126 0.876 . . . . 0.0 110.319 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -78.31 99.49 6.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.01 141.18 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 175.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.59 106.69 9.6 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 139.18 174.31 13.46 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.29 -173.2 2.6 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.729 1.611 . . . . 0.0 108.976 172.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mt -138.07 101.11 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 120.495 -1.378 . . . . 0.0 109.802 -177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -133.46 -174.22 3.44 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 127.423 2.289 . . . . 0.0 107.659 169.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -5.27 3.36 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.121 -1.612 . . . . 0.0 115.23 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -83.66 -21.44 32.44 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.886 1.221 . . . . 0.0 111.298 168.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -125.36 -48.58 1.7 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.04 -164.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.3 p -50.73 -40.27 54.01 Favored 'General case' 0 C--O 1.227 -0.131 0 C-N-CA 124.886 1.274 . . . . 0.0 109.93 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.6 m -48.34 -30.8 5.28 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.819 2.848 . . . . 0.0 113.381 171.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.5 -49.62 2.82 Favored 'General case' 0 C--O 1.226 -0.164 0 C-N-CA 125.993 1.717 . . . . 0.0 109.694 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 tt -45.8 -33.87 3.36 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.833 1.253 . . . . 0.0 111.017 167.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -65.61 -60.56 2.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 119.626 1.103 . . . . 0.0 113.085 173.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -64.92 -21.86 66.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 118.372 0.533 . . . . 0.0 111.029 -169.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -86.42 -41.59 14.32 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.199 1.0 . . . . 0.0 108.946 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -60.88 -42.27 97.63 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 119.303 0.956 . . . . 0.0 112.144 171.048 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -65.72 -34.4 78.1 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.389 -0.82 . . . . 0.0 109.585 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.49 -47.85 68.83 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.686 -0.673 . . . . 0.0 110.71 172.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 17' ' ' VAL . 1.6 t80 -45.36 -50.91 11.83 Favored 'General case' 0 C--N 1.339 0.139 0 C-N-CA 126.558 1.943 . . . . 0.0 109.388 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.472 HG21 ' HB3' ' A' ' 71' ' ' ASP . 3.0 mm -54.04 -48.28 64.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 112.149 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 t -67.93 -36.25 79.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.796 0.838 . . . . 0.0 111.06 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -97.06 2.21 51.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.18 0.992 . . . . 0.0 111.571 -166.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -114.2 124.96 53.33 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.72 1.208 . . . . 0.0 108.977 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.7 m -92.06 5.98 48.2 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.859 -1.151 . . . . 0.0 113.491 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 13' ' ' ASP . 6.0 mmmm -78.35 127.36 32.11 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.737 -2.32 . . . . 0.0 104.737 174.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -68.77 -10.53 57.12 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.662 169.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.56 117.0 32.96 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 119.748 1.158 . . . . 0.0 108.895 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.403 HD11 ' HE3' ' A' ' 77' ' ' LYS . 50.2 mm -115.74 117.6 56.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 128.241 2.616 . . . . 0.0 106.7 -176.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 t -121.8 101.37 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 tp -79.83 120.34 23.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.07 119.9 32.8 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 175.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.22 31.88 4.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.002 0.921 . . . . 0.0 109.54 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 t -64.73 -13.41 54.62 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.327 1.451 . . . . 0.0 111.941 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 t -106.5 -28.0 10.57 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.795 -1.19 . . . . 0.0 111.607 174.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 t -73.18 122.01 25.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -169.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -114.77 -34.31 5.19 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.387 0.675 . . . . 0.0 111.968 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -108.98 140.77 42.03 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.205 1.802 . . . . 0.0 108.669 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.2 ttm -149.72 107.64 3.71 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 124.665 1.186 . . . . 0.0 109.181 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -79.95 176.72 9.49 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.823 0.702 . . . . 0.0 111.275 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.3 -25.39 64.09 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.495 -0.753 . . . . 0.0 111.408 164.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.81 -35.46 11.44 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 126.971 2.224 . . . . 0.0 113.926 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 91' ' ' ILE . 10.7 mt -64.3 -53.03 55.34 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.415 1.086 . . . . 0.0 109.638 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.25 -32.35 60.22 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-O 119.007 -0.885 . . . . 0.0 112.075 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.7 m -52.24 -53.94 37.4 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 118.936 1.368 . . . . 0.0 110.61 174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.13 -30.21 70.87 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.594 1.088 . . . . 0.0 110.51 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.21 -36.53 73.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.391 175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -60.13 -54.28 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.107 1.363 . . . . 0.0 107.924 171.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.703 HG21 HD12 ' A' ' 35' ' ' LEU . 3.7 mm -59.35 -38.17 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -173.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.22 -55.48 33.28 Favored 'General case' 0 CA--C 1.514 -0.412 0 O-C-N 121.517 -0.739 . . . . 0.0 110.497 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -54.07 -38.68 65.55 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.139 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -70.81 -31.83 68.71 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.462 0.574 . . . . 0.0 111.468 178.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.91 -51.44 69.1 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.272 1.029 . . . . 0.0 110.554 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 117.233 -1.365 . . . . 0.0 112.174 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.7 mt -48.04 -57.05 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 119.438 1.017 . . . . 0.0 109.016 167.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -76.73 0.28 21.07 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.3 50.51 66.87 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 126.517 2.008 . . . . 0.0 111.648 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HE3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -127.78 167.18 16.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.151 0.98 . . . . 0.0 110.133 175.584 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.67 169.54 17.83 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.768 170.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -151.58 118.08 5.69 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.392 1.477 . . . . 0.0 107.462 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 56.2 mt -132.74 158.03 43.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 O-C-N 124.418 1.074 . . . . 0.0 109.426 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.455 HD12 HG13 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -119.32 171.83 8.04 Favored 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 123.335 0.654 . . . . 0.0 110.255 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.51 161.77 30.11 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.891 1.276 . . . . 0.0 109.475 -170.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 m 58.84 51.26 7.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.428 1.891 . . . . 0.0 112.881 174.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -73.72 114.66 12.24 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 131.017 3.727 . . . . 0.0 110.494 -176.155 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -74.51 159.9 31.63 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.779 174.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -56.19 -31.02 63.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.196 0.998 . . . . 0.0 111.857 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -74.37 0.13 Allowed 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.078 0.951 . . . . 0.0 110.403 165.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.6 mm -52.34 -55.07 11.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 C-N-CA 125.239 1.416 . . . . 0.0 108.229 -166.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -40.87 -54.72 2.64 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.988 1.715 . . . . 0.0 109.356 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -61.73 -47.0 87.2 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 120.854 -1.154 . . . . 0.0 111.866 178.337 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.451 HG22 HD21 ' A' ' 62' ' ' LEU . 68.1 mt -58.62 -31.74 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.555 1.542 . . . . 0.0 110.42 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.409 ' HG ' HD11 ' A' ' 103' ' ' ILE . 3.9 mm? -69.59 -49.46 53.87 Favored 'General case' 0 C--O 1.232 0.143 0 O-C-N 120.605 -1.309 . . . . 0.0 108.326 173.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 90' ' ' ARG . 3.0 mppt? -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 mp -49.98 -69.9 0.1 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.861 1.665 . . . . 0.0 109.818 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -77.64 16.44 0.66 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.92 0.888 . . . . 0.0 110.27 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.47 35.63 18.16 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 127.358 2.263 . . . . 0.0 111.752 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.537 HD23 HD12 ' A' ' 100' ' ' ILE . 79.3 mt -73.38 -22.45 60.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.234 1.014 . . . . 0.0 110.578 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -69.95 -8.94 53.06 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 110.82 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -101.21 1.1 38.64 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 119.944 -1.723 . . . . 0.0 112.87 166.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.537 HD12 HD23 ' A' ' 97' ' ' LEU . 47.9 mt -106.75 -61.18 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 -178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -92.92 12.21 24.62 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.782 1.233 . . . . 0.0 111.697 179.431 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.574 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 7.0 tttp 46.93 -153.7 0.06 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.16 0.984 . . . . 0.0 108.929 -169.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.574 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -171.55 163.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 127.553 2.341 . . . . 0.0 109.782 163.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.0 p -140.59 148.72 41.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.62 1.1 . . . . 0.0 109.916 177.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.6 -22.39 50.93 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.529 -0.732 . . . . 0.0 112.398 170.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.4 p -148.68 167.47 25.43 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 124.151 0.98 . . . . 0.0 110.606 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 p -66.67 -25.42 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 121.621 -0.674 . . . . 0.0 110.091 168.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.1 -8.62 55.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.792 1.237 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.02 -3.66 34.33 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.074 0.95 . . . . 0.0 112.378 171.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.575 -1.202 . . . . 0.0 112.945 -157.759 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -138.16 150.91 47.23 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -96.03 -59.73 1.79 Allowed 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 119.322 -0.371 . . . . 0.0 110.048 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.55 137.79 50.42 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 123.381 0.425 . . . . 0.0 110.055 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -124.72 162.51 24.06 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 128.633 2.773 . . . . 0.0 109.672 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -149.46 100.2 2.98 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.423 1.489 . . . . 0.0 107.333 -171.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 18' ' ' ARG . 47.9 t0 -83.35 72.76 10.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.85 117.72 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.4 t -128.97 135.62 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 126.543 1.937 . . . . 0.0 107.806 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -145.11 96.67 2.88 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.201 1.0 . . . . 0.0 109.789 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -131.55 -96.44 0.34 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 117.647 -1.168 . . . . 0.0 107.874 162.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -49.03 78.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 130.199 3.4 . . . . 0.0 113.549 -163.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.256 1.1 m-20 24.68 44.13 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 130.227 3.411 . . . . 0.0 115.771 -164.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD3' HG21 ' A' ' 48' ' ' VAL . 12.2 ttmt -155.56 158.44 38.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.288 -1.507 . . . . 0.0 109.073 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.88 125.71 51.8 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 162.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -129.86 123.07 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -127.09 106.92 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -171.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 71.8 mtt180 -78.7 98.47 6.24 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.465 0.65 . . . . 0.0 111.139 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.54 127.28 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 125.967 1.707 . . . . 0.0 108.382 168.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -139.08 114.87 10.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.801 1.64 . . . . 0.0 107.288 -173.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 143.64 169.66 12.84 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -79.22 158.95 27.52 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 164.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.8 mt -132.55 92.72 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.121 0.969 . . . . 0.0 108.429 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -125.16 -170.12 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 128.019 2.528 . . . . 0.0 108.053 175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.89 -7.26 0.29 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 170.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.27 10.58 23.62 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.569 1.947 . . . . 0.0 111.248 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -152.89 -38.26 0.1 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 117.771 -1.109 . . . . 0.0 111.684 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 p -55.69 -37.79 68.81 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 119.922 1.237 . . . . 0.0 110.424 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.76 -40.16 54.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.115 1.766 . . . . 0.0 110.795 173.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.7 -51.27 5.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 125.179 1.392 . . . . 0.0 111.552 -174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -47.3 -35.43 7.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.03 1.332 . . . . 0.0 109.526 171.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -62.42 -59.87 4.36 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.754 0.707 . . . . 0.0 111.228 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.7 -22.12 60.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.15 -166.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.47 -36.65 29.08 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD13 HD21 ' A' ' 49' ' ' LEU . 18.3 mt -73.27 -32.18 64.52 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.217 0.607 . . . . 0.0 111.972 172.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -60.38 -52.28 65.93 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 167.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -43.98 80.68 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.727 0.694 . . . . 0.0 111.095 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.4 t80 -52.49 -55.55 21.26 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.507 1.523 . . . . 0.0 111.393 177.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.3 mt -71.03 -24.76 24.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 119.285 -0.388 . . . . 0.0 110.218 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -65.74 -40.58 92.29 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.147 0.979 . . . . 0.0 111.001 172.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 p -91.4 -95.6 0.13 Allowed 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.282 9.0 t 40.16 -164.61 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.53 2.732 . . . . 0.0 112.711 -174.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.46 11.35 0.45 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.73 1.612 . . . . 0.0 111.455 168.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -119.88 144.96 47.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.38 1.872 . . . . 0.0 106.934 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -88.47 -10.5 48.87 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.2 112.49 24.5 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -174.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -107.44 123.72 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -174.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.425 HG21 ' HD3' ' A' ' 14' ' ' LYS . 99.1 t -112.51 96.87 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 17' ' ' VAL . 5.2 tp -79.32 104.04 9.66 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 3.4 t0 -91.76 113.04 25.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -171.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.599 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -109.67 37.36 2.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.304 0.956 . . . . 0.0 110.796 177.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.472 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 1.9 t -64.49 -17.08 63.53 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -119.42 -15.22 9.1 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -170.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.599 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 11.9 p -70.77 168.68 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 120.293 1.406 . . . . 0.0 109.754 160.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.7 m -147.63 -34.78 0.24 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.997 2.119 . . . . 0.0 109.942 166.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -90.65 125.82 35.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.093 1.357 . . . . 0.0 108.74 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.4 ttp -137.95 134.74 35.29 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 162.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -98.87 171.89 7.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 123.846 0.716 . . . . 0.0 111.88 168.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.06 75.12 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 120.695 1.589 . . . . 0.0 112.206 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.95 -29.13 74.4 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 125.311 1.434 . . . . 0.0 112.344 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD13 HG22 ' A' ' 91' ' ' ILE . 22.3 tp -76.05 -55.53 5.51 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 117.659 0.729 . . . . 0.0 110.518 -173.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.83 -27.0 55.54 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 118.551 -1.138 . . . . 0.0 111.832 172.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.503 HG21 HD23 ' A' ' 31' ' ' LEU . 45.7 m -57.4 -45.5 84.49 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 119.492 1.646 . . . . 0.0 110.185 171.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.37 -31.21 70.12 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 122.17 2.259 . . . . 0.0 111.115 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.82 -28.64 31.08 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 123.206 0.602 . . . . 0.0 110.081 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.3 t -62.46 -51.87 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 120.111 -1.618 . . . . 0.0 109.253 164.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 mm -58.43 -37.35 63.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.329 1.052 . . . . 0.0 109.231 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.1 -48.81 80.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-O 118.704 -0.665 . . . . 0.0 111.099 173.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -52.48 -39.35 61.08 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.524 0.602 . . . . 0.0 109.997 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -41.26 74.37 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.631 0.773 . . . . 0.0 111.473 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.21 -53.04 56.41 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.211 0.914 . . . . 0.0 110.888 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -69.21 -34.14 74.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 117.362 -1.304 . . . . 0.0 111.336 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -56.02 -53.49 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.727 1.211 . . . . 0.0 110.238 168.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -75.0 -7.31 53.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.3 56.53 6.81 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 128.769 3.08 . . . . 0.0 111.977 176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 177.45 7.97 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 117.909 0.855 . . . . 0.0 112.243 -175.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -79.76 -173.46 3.84 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 122.529 1.157 . . . . 0.0 107.897 169.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.98 124.12 0.43 Allowed 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 129.99 3.316 . . . . 0.0 108.43 167.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 102' ' ' LYS . 34.2 mt -130.0 164.47 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.609 1.563 . . . . 0.0 108.159 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.18 177.53 4.69 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.764 0.826 . . . . 0.0 110.919 175.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.53 157.76 32.69 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.882 1.273 . . . . 0.0 112.694 -174.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m 68.25 44.23 1.41 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.267 2.227 . . . . 0.0 114.041 160.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.855 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -60.89 103.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 126.888 2.075 . . . . 0.0 113.025 -169.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' ' 52' ' ' SER . 6.8 mmtt -72.06 76.97 0.94 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.98 2.512 . . . . 0.0 107.357 169.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 36.73 -77.85 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 129.208 3.003 . . . . 0.0 115.197 157.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -45.33 -61.86 1.5 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.233 1.813 . . . . 0.0 110.898 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.7 mm -52.42 -57.15 4.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 C-N-CA 126.693 1.997 . . . . 0.0 107.98 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.444 ' C ' ' HE2' ' A' ' 93' ' ' LYS . 4.0 t -39.27 -55.53 1.68 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 108.777 -176.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -55.41 -49.06 73.35 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.312 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.576 HG22 HD13 ' A' ' 62' ' ' LEU . 32.9 mt -62.28 -34.35 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 126.175 1.79 . . . . 0.0 109.197 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -51.69 64.25 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 169.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.444 ' HE2' ' C ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -59.67 -6.8 1.27 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 172.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.8 -68.75 0.62 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 121.072 1.76 . . . . 0.0 108.366 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.4 m -78.29 17.49 0.63 Allowed 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.843 1.201 . . . . 0.0 113.012 -173.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 16.0 m170 57.35 30.62 18.82 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 120.043 -1.66 . . . . 0.0 110.851 -175.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 62' ' ' LEU . 82.1 mt -66.1 -24.02 66.62 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.899 0.88 . . . . 0.0 110.969 -178.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -67.83 -6.43 21.45 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.759 2.424 . . . . 0.0 113.341 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -119.51 7.18 11.1 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.213 1.405 . . . . 0.0 111.824 172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.7 mt -106.46 -70.07 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -82.5 18.61 1.44 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.242 1.017 . . . . 0.0 110.502 174.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 80' ' ' ILE . 3.1 ttpp 44.2 -157.46 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.979 0.912 . . . . 0.0 109.567 -169.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -166.06 160.59 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 117.116 -1.421 . . . . 0.0 109.154 155.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -140.78 164.63 29.7 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.842 1.201 . . . . 0.0 108.336 166.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.81 -35.03 26.78 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.749 1.613 . . . . 0.0 109.551 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 p -135.8 156.18 49.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.243 0.545 . . . . 0.0 112.082 -172.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.47 -15.63 17.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.541 0.736 . . . . 0.0 111.572 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 -17.78 64.94 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.023 166.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -95.52 3.07 54.51 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.096 0.862 . . . . 0.0 112.434 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 CA-C-N 119.09 0.859 . . . . 0.0 111.945 -164.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 121.909 0.861 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -57.1 137.17 56.16 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 154.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -84.04 162.61 20.3 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.138 0.975 . . . . 0.0 109.657 175.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' HB2' HD22 ' A' ' 27' ' ' ASN . 3.0 tm? -42.44 115.44 0.7 Allowed 'General case' 0 C--O 1.235 0.342 0 C-N-CA 127.598 2.359 . . . . 0.0 109.919 178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.82 158.38 42.65 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 126.591 1.956 . . . . 0.0 108.309 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -143.16 101.31 3.79 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.175 1.39 . . . . 0.0 108.136 -170.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -98.12 83.76 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.47 0.481 . . . . 0.0 111.291 -173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.81 141.06 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.342 0.657 . . . . 0.0 109.532 -168.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.9 t -145.21 132.4 15.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 126.591 1.956 . . . . 0.0 108.382 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -133.73 90.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.627 0.771 . . . . 0.0 110.069 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -133.74 -43.51 0.82 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 110.842 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 60.69 2.31 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.359 1.076 . . . . 0.0 109.435 -171.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . 0.264 0.3 OUTLIER 50.22 -16.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 1 C-N-CA 132.21 4.204 . . . . 0.0 117.924 -168.553 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 48.4 mttp -96.36 170.14 9.44 Favored 'General case' 0 CA--C 1.496 -1.111 0 C-N-CA 127.153 2.181 . . . . 0.0 109.785 -178.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.49 132.0 45.11 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-N 112.459 -2.155 . . . . 0.0 105.586 153.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.0 mt -129.3 129.53 67.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 102.759 -3.052 . . . . 0.0 102.759 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.507 HG13 HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -141.82 110.32 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -170.305 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -73.53 102.93 3.98 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.72 130.51 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 162.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -136.42 124.83 23.4 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.35 -162.99 32.72 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-O 121.989 0.771 . . . . 0.0 112.008 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.17 106.93 9.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 102.741 -3.059 . . . . 0.0 102.741 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.91 96.06 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -170.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.86 -170.1 2.04 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 124.386 1.074 . . . . 0.0 108.226 169.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.09 -7.9 0.92 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.619 1.568 . . . . 0.0 114.286 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -79.2 -4.29 49.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.647 1.179 . . . . 0.0 112.872 168.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.628 HD22 ' HB2' ' A' ' 4' ' ' LEU . 3.2 m120 -146.53 -48.22 0.19 Allowed 'General case' 0 C--O 1.217 -0.649 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.637 -156.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 p -58.42 -7.32 0.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 112.76 170.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 t -77.34 -44.42 29.54 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.533 1.933 . . . . 0.0 110.452 168.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -111.95 -48.19 3.07 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 128.628 2.771 . . . . 0.0 111.137 -162.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tp -40.52 -43.4 1.84 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 120.218 1.372 . . . . 0.0 108.969 159.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -64.16 -52.8 57.28 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.594 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.24 -21.25 59.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.559 0.618 . . . . 0.0 111.005 -172.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -84.17 -35.53 23.5 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.7 mm? -62.59 -48.22 80.39 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.465 166.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -54.37 -47.98 72.03 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.33 0.968 . . . . 0.0 109.229 177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -56.99 -56.73 17.96 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.19 0.596 . . . . 0.0 111.028 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.36 -52.11 23.24 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 126.733 2.013 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.5 -34.16 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -78.63 -16.18 57.65 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 173.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -112.77 -18.98 12.17 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.924 1.693 . . . . 0.0 113.452 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -66.34 -16.56 64.15 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -164.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.7 t 65.19 -28.92 0.11 Allowed 'General case' 0 CA--C 1.552 1.027 0 O-C-N 119.419 -2.05 . . . . 0.0 114.239 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -79.6 138.14 37.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.53 -1.981 . . . . 0.0 108.134 -175.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -77.72 4.61 11.18 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.769 -1.207 . . . . 0.0 113.011 172.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.92 114.86 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -166.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.71 111.39 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.18 113.62 34.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 169.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD12 HG13 ' A' ' 17' ' ' VAL . 6.9 tp -95.17 92.18 6.67 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.088 0.955 . . . . 0.0 109.719 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.57 119.73 28.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 126.322 1.849 . . . . 0.0 111.206 -168.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.462 ' HB3' HG12 ' A' ' 54' ' ' VAL . 9.3 mt -114.72 19.16 16.19 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.701 -1.249 . . . . 0.0 113.358 -165.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -58.12 -25.37 61.31 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.597 1.159 . . . . 0.0 113.25 -173.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 -42.1 19.65 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 120.369 -1.457 . . . . 0.0 112.596 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG12 ' HB3' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -68.16 127.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -160.776 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -123.03 -3.07 8.6 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -166.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -136.95 147.41 46.33 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 29.1 ttm -162.04 102.44 1.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 126.611 1.964 . . . . 0.0 109.251 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.65 -179.47 6.9 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.985 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.71 -25.4 67.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.982 0.81 . . . . 0.0 112.05 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.69 -43.21 68.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 126.654 2.073 . . . . 0.0 110.776 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 91' ' ' ILE . 20.4 tp -57.45 -54.21 49.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.943 0.897 . . . . 0.0 109.543 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -29.83 75.47 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.147 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.3 m -55.41 -51.65 66.17 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 118.224 1.012 . . . . 0.0 109.343 173.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.32 -32.45 71.25 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.475 1.489 . . . . 0.0 111.149 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -68.77 -35.05 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 121.983 -0.448 . . . . 0.0 110.15 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.05 -53.11 53.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.353 1.061 . . . . 0.0 108.693 167.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.4 mm -57.9 -39.53 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -171.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.06 -52.8 63.85 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 121.8 -0.562 . . . . 0.0 111.402 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.12 -42.2 60.54 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.58 -40.99 98.65 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.654 0.781 . . . . 0.0 112.128 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.85 -55.68 27.75 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.556 1.142 . . . . 0.0 110.223 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -65.1 -39.85 93.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 117.723 -1.132 . . . . 0.0 111.087 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.21 -55.97 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 108.869 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.406 ' HB3' ' HD2' ' A' ' 77' ' ' LYS . 12.2 m-80 -70.76 -10.43 59.48 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.61 26.9 55.74 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 125.958 1.742 . . . . 0.0 113.177 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -112.81 174.72 5.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.996 1.898 . . . . 0.0 111.331 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -104.21 144.98 30.87 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.477 1.111 . . . . 0.0 108.589 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -132.83 111.04 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 127.487 2.315 . . . . 0.0 107.248 -176.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.9 mt -123.01 160.26 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 126.84 2.056 . . . . 0.0 109.126 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -120.29 164.53 16.16 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.619 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.84 158.81 44.22 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.05 0.94 . . . . 0.0 110.255 -171.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.6 m 60.62 47.91 7.84 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.242 1.817 . . . . 0.0 113.16 165.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -59.17 108.53 0.7 Allowed 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 130.301 3.44 . . . . 0.0 108.646 173.326 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -67.29 149.41 50.41 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 161.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.35 -48.26 62.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.629 0.649 . . . . 0.0 111.371 -167.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -53.02 -66.57 0.36 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.009 1.724 . . . . 0.0 110.791 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.7 mt -50.52 -52.4 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.774 1.63 . . . . 0.0 108.744 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -44.57 -51.11 9.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.567 1.147 . . . . 0.0 108.614 -176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -50.27 64.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.504 1.922 . . . . 0.0 112.489 176.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.522 HG22 HD13 ' A' ' 62' ' ' LEU . 7.9 mt -60.35 -36.64 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.123 1.769 . . . . 0.0 110.094 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.83 -40.17 87.91 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 120.311 -1.493 . . . . 0.0 108.875 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -67.8 -25.09 65.42 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.22 -69.08 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 121.41 1.914 . . . . 0.0 110.655 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -81.47 15.52 2.02 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 122.834 0.454 . . . . 0.0 110.186 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.4 m80 50.76 39.45 22.05 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 126.053 1.741 . . . . 0.0 109.991 -175.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 85.9 mt -74.13 -18.06 60.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 121.659 -0.651 . . . . 0.0 110.203 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.71 -10.93 6.05 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.1 -0.953 . . . . 0.0 113.492 170.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.13 -12.71 17.87 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 120.302 1.41 . . . . 0.0 113.485 166.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.85 -20.03 5.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 125.655 1.582 . . . . 0.0 110.467 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 97' ' ' LEU . 3.6 m-85 -127.8 8.29 6.28 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.143 1.777 . . . . 0.0 112.354 176.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 103' ' ' ILE . 14.1 tttp 49.16 -161.14 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -160.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.477 ' H ' ' HG2' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -163.68 164.86 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 126.146 1.778 . . . . 0.0 108.303 152.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.8 p -138.9 153.53 48.28 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 106.098 -1.816 . . . . 0.0 106.098 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -51.66 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 21.7 p -142.75 177.0 8.62 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.004 0.521 . . . . 0.0 111.668 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.72 -18.14 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.691 0.797 . . . . 0.0 111.974 177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.7 -19.06 47.29 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.038 0.935 . . . . 0.0 111.948 169.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 8.11 9.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.965 -0.459 . . . . 0.0 111.985 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.464 159.232 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -144.45 164.39 31.0 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 125.663 1.585 . . . . 0.0 109.661 -168.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -146.17 21.99 1.37 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.068 2.547 . . . . 0.0 109.684 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.12 120.08 12.55 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 124.677 1.191 . . . . 0.0 110.2 -169.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -124.62 163.74 21.32 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.282 169.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -142.91 100.87 3.74 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 126.336 1.855 . . . . 0.0 107.827 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.83 73.7 4.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.63 -172.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -79.43 122.29 34.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 124.662 1.185 . . . . 0.0 108.68 -174.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.2 t -132.99 142.65 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.304 1.842 . . . . 0.0 108.341 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -133.31 33.1 3.61 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.739 0.815 . . . . 0.0 111.842 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -89.87 18.34 5.78 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 120.381 1.446 . . . . 0.0 113.519 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -136.97 29.44 2.82 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.2 -0.937 . . . . 0.0 111.481 -168.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.05 8.03 0.15 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.318 2.247 . . . . 0.0 114.342 -172.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD3' HG21 ' A' ' 48' ' ' VAL . 31.6 ttmt -137.78 158.87 43.47 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 130.388 3.475 . . . . 0.0 105.3 -175.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.75 112.14 23.8 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 127.047 2.139 . . . . 0.0 107.166 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.69 133.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 -166.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG13 HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -138.19 110.02 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -169.386 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -75.07 101.48 4.54 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.87 130.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.716 1.607 . . . . 0.0 109.264 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -145.88 60.5 1.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.758 1.223 . . . . 0.0 109.352 -162.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 177.37 123.77 0.81 Allowed Glycine 0 N--CA 1.471 1.025 0 C-N-CA 120.225 -0.988 . . . . 0.0 115.382 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.25 105.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 131.78 4.032 . . . . 0.0 113.153 -167.379 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.9 mt -80.74 92.03 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.048 0 C-N-CA 124.572 1.149 . . . . 0.0 108.938 -162.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -129.77 -172.61 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 126.689 1.996 . . . . 0.0 106.444 168.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 -1.41 0.35 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.064 -1.647 . . . . 0.0 114.696 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -92.74 -1.06 57.13 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.667 1.587 . . . . 0.0 112.518 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -154.59 -33.11 0.1 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -53.67 -39.93 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.183 1.811 . . . . 0.0 108.552 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 m -63.24 -21.95 66.56 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.212 1.805 . . . . 0.0 114.831 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.4 -43.88 2.91 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.346 1.858 . . . . 0.0 109.029 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.78 -39.18 2.37 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 120.264 -1.522 . . . . 0.0 109.136 163.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -66.23 -48.59 70.05 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 118.869 0.758 . . . . 0.0 112.82 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.26 -30.8 69.91 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.454 0.57 . . . . 0.0 110.442 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -83.18 -35.96 25.07 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.241 1.017 . . . . 0.0 108.556 -171.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -67.25 -34.06 76.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.358 -0.839 . . . . 0.0 112.746 169.282 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -64.38 -47.35 79.6 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.138 1.335 . . . . 0.0 109.376 170.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -52.66 40.66 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.776 0.831 . . . . 0.0 109.702 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CE2' HG11 ' A' ' 17' ' ' VAL . 2.7 t80 -48.99 -58.39 4.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.953 2.101 . . . . 0.0 109.424 177.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.418 HG21 ' HB3' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -58.68 -30.96 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 113.067 -176.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 t -80.39 -43.48 20.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.239 0.927 . . . . 0.0 110.765 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -83.26 -28.53 29.1 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.736 0.698 . . . . 0.0 109.898 -166.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -65.37 138.68 58.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.1 t -98.75 -12.19 21.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.903 0.881 . . . . 0.0 111.448 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.39 147.73 30.9 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 120.337 -1.477 . . . . 0.0 107.839 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -91.85 12.59 21.04 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 167.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.65 104.61 8.77 Favored 'General case' 0 CA--C 1.518 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.936 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -106.89 136.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.481 HG21 ' HD3' ' A' ' 14' ' ' LYS . 57.8 t -131.24 100.46 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 127.272 2.229 . . . . 0.0 105.987 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.745 HD12 HG13 ' A' ' 17' ' ' VAL . 8.9 tp -79.93 109.91 14.8 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -89.1 123.15 33.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HB3' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -115.31 35.32 4.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.735 1.152 . . . . 0.0 111.572 175.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 t -60.74 -34.29 74.21 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.247 -0.908 . . . . 0.0 110.601 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 m -98.21 -13.51 20.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -168.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 51' ' ' LEU . 8.8 p -74.96 -170.96 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.383 0.992 . . . . 0.0 109.658 173.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.9 m -159.28 -41.81 0.06 Allowed 'General case' 0 CA--C 1.534 0.335 0 O-C-N 120.846 -1.159 . . . . 0.0 111.505 162.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -91.12 138.7 31.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.515 -171.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.1 ttm -150.99 104.37 3.14 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.675 1.19 . . . . 0.0 108.098 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 59' ' ' SEP . 24.0 t0 -85.95 -178.22 6.51 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 171.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SEP . . . . . 0.445 ' H ' ' CG ' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.47 -44.91 76.91 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.312 0.645 . . . . 0.0 110.448 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.86 82.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 124.865 1.221 . . . . 0.0 113.507 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.459 ' HA ' HD12 ' A' ' 62' ' ' LEU . 14.0 tp -66.72 -53.12 36.74 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 124.301 1.04 . . . . 0.0 109.217 -175.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.99 -29.74 73.45 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-O 117.452 -1.749 . . . . 0.0 112.109 173.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.6 m -56.17 -48.57 76.07 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.126 1.963 . . . . 0.0 109.757 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.2 -39.26 85.93 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.714 1.597 . . . . 0.0 111.254 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 t -64.11 -34.82 71.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.802 0.441 . . . . 0.0 110.113 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.79 -54.65 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 121.129 -0.982 . . . . 0.0 108.736 170.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.638 HG21 HD12 ' A' ' 35' ' ' LEU . 3.7 mm -57.73 -42.5 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 119.453 1.024 . . . . 0.0 109.607 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp -52.8 -43.13 65.68 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.247 1.019 . . . . 0.0 111.518 174.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -55.65 -30.52 61.14 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 124.282 1.033 . . . . 0.0 111.069 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' HG21 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -88.32 -36.51 16.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 173.047 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.82 -54.99 7.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 120.298 1.408 . . . . 0.0 111.552 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -67.05 -37.91 84.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.75 -172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.08 -60.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 124.797 1.239 . . . . 0.0 108.452 168.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -71.39 0.29 8.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.896 0.878 . . . . 0.0 112.966 -173.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 26.66 32.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 127.254 2.359 . . . . 0.0 112.848 165.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -130.14 157.36 42.64 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 122.909 1.338 . . . . 0.0 113.22 -161.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -88.75 151.15 22.59 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.982 174.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -145.79 93.36 2.33 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.884 -159.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 5.0 mt -125.24 155.17 34.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 C-N-CA 124.226 1.011 . . . . 0.0 110.345 -169.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.36 170.21 9.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 119.271 0.941 . . . . 0.0 109.374 -174.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.41 161.91 27.49 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.862 0.865 . . . . 0.0 110.77 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.6 m 56.9 53.37 8.2 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.422 1.889 . . . . 0.0 113.341 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.651 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -69.46 117.03 10.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 130.272 3.429 . . . . 0.0 110.113 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -78.7 166.27 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.031 170.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -48.37 -56.67 7.55 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.136 1.335 . . . . 0.0 111.023 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 t -56.47 -65.52 0.59 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.55 0.74 . . . . 0.0 110.079 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -54.68 -55.73 14.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -171.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -43.86 -53.94 5.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.696 1.198 . . . . 0.0 108.906 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.97 -48.14 82.91 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 125.207 1.403 . . . . 0.0 111.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.431 ' HA ' ' HG ' ' A' ' 94' ' ' LEU . 77.6 mt -56.63 -38.93 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 126.527 1.931 . . . . 0.0 110.27 176.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HG ' HD11 ' A' ' 103' ' ' ILE . 4.1 mm? -64.38 -41.36 96.73 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 120.334 -1.479 . . . . 0.0 108.946 175.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.34 -30.48 71.2 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 171.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.431 ' HG ' ' HA ' ' A' ' 91' ' ' ILE . 15.5 mt -53.78 -60.56 3.15 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 120.098 1.317 . . . . 0.0 111.691 -174.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -90.48 22.55 3.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.89 0.768 . . . . 0.0 110.385 177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.77 35.0 2.82 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 126.37 1.868 . . . . 0.0 113.607 -175.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 100' ' ' ILE . 66.2 mt -62.72 -23.95 67.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.47 1.108 . . . . 0.0 110.345 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -58.26 -18.61 27.91 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 127.253 2.221 . . . . 0.0 115.31 174.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -101.67 -21.92 14.56 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.148 1.34 . . . . 0.0 111.593 169.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.548 HD12 HD23 ' A' ' 97' ' ' LEU . 49.6 mt -75.66 -44.84 39.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 1.4 m-85 -115.04 14.85 17.2 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 126.656 1.983 . . . . 0.0 111.925 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' HE2' HG22 ' A' ' 104' ' ' THR . 4.1 tttt 50.97 -162.03 0.07 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.285 0.634 . . . . 0.0 110.042 -171.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.446 HD11 ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -165.16 161.17 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.951 1.7 . . . . 0.0 108.922 155.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.488 HG22 ' HE2' ' A' ' 102' ' ' LYS . 16.2 p -139.55 131.39 27.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -30.74 71.75 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.417 -1.313 . . . . 0.0 111.633 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 68.0 p -142.07 174.92 10.16 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 110.448 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -60.01 -31.95 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 123.64 0.776 . . . . 0.0 110.338 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -67.57 -22.42 65.39 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 118.419 0.554 . . . . 0.0 111.417 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -88.18 6.23 37.62 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.888 0.767 . . . . 0.0 111.806 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.87 -1.538 . . . . 0.0 113.789 -174.876 . . . . . . . . 0 0 . 1 stop_ save_